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Basic Information
CAS No.: 1131410-85-9
Name: 7-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine
Article Data: 5
Molecular Structure:
Molecular Structure of 1131410-85-9 (7-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine)
Formula: C6H5ClN4
Molecular Weight: 168.58
Synonyms: 7-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-ylamine;2-Amino-7-chloro-[1,2,4]triazolo[1,5-a]pyridine;
Density: 1.715 g/cm3
PSA: 56.21000
LogP: 1.54610
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Specification

The [1,2,4]Triazolo[1,5-a]pyridin-2-amine, 7-chloro-, with the CAS registry number 1131410-85-9, is also known as 2-Amino-7-chloro-[1,2,4]triazolo[1,5-a]pyridine. This chemical's molecular formula is C6H5ClN4 and molecular weight is 168.58. What's more, its systematic name is 7-Chloro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Physical properties of [1,2,4]Triazolo[1,5-a]pyridin-2-amine, 7-chloro- are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.521; (4)ACD/LogD (pH 7.4): 1.562; (5)ACD/BCF (pH 5.5): 8.246; (6)ACD/BCF (pH 7.4): 9.055; (7)ACD/KOC (pH 5.5): 153.385; (8)ACD/KOC (pH 7.4): 168.428; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 56.21 Å2; (13)Index of Refraction: 1.791; (14)Molar Refractivity: 41.674 cm3; (15)Molar Volume: 98.307 cm3; (16)Polarizability: 16.521×10-24 cm3; (17)Surface Tension: 71.701 dyne/cm; (18)Density: 1.715 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cn2c(cc1Cl)nc(n2)N
(2)InChI: InChI=1S/C6H5ClN4/c7-4-1-2-11-5(3-4)9-6(8)10-11/h1-3H,(H2,8,10)
(3)InChIKey: GZDFHYMMHZAWSN-UHFFFAOYSA-N