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112581-74-5

Basic Information
CAS No.: 112581-74-5
Name: 2,5,7-TRIMETHYLPYRAZOLO[1,5-A]PYRIMIDINE
Article Data: 4
Molecular Structure:
Molecular Structure of 112581-74-5 (2,5,7-TRIMETHYLPYRAZOLO[1,5-A]PYRIMIDINE)
Formula: C9H11N3
Molecular Weight: 161.206
Synonyms: 2,5,7-Trimethylpyrazolo[1,5-a]pyrimidine;
Density: 1.16 g/cm3
PSA: 30.19000
LogP: 1.65450
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Specification

The Pyrazolo[1,5-a]pyrimidine, 2,5,7-trimethyl- has the CAS registry number 112581-74-5. This chemical's molecular formula is C9H11N3 and molecular weight is 161.2. What's more, its systematic name is 2,5,7-trimethylpyrazolo[1,5-a]pyrimidine.

Physical properties of Pyrazolo[1,5-a]pyrimidine, 2,5,7-trimethyl- are: (1)ACD/LogP: 1.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.37; (6)ACD/BCF (pH 7.4): 11.38; (7)ACD/KOC (pH 5.5): 198.28; (8)ACD/KOC (pH 7.4): 198.37; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 48.42 cm3; (15)Molar Volume: 137.9 cm3; (16)Polarizability: 19.19×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.16 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(cc(n2nc(cc12)C)C)C
(2)InChI: InChI=1/C9H11N3/c1-6-4-8(3)12-9(10-6)5-7(2)11-12/h4-5H,1-3H3
(3)InChIKey: CMVBAPBWJKFPEA-UHFFFAOYAI