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Basic Information
CAS No.: 255-01-6
Name: Pyrimido[4,5-e]-1,2,4-triazine (9CI)
Molecular Structure:
Molecular Structure of 255-01-6 (Pyrimido[4,5-e]-1,2,4-triazine (9CI))
Formula: C5H3N5
Molecular Weight: 133.11
Synonyms: Pyrimido[4,5-e]-as-triazine (7CI,8CI);6-Azapteridine;
Density: 1.484 g/cm3
Boiling Point: 268.6 °C at 760 mmHg
Flash Point: 128.5 °C
PSA: 64.45000
LogP: -0.18520
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Specification

The Pyrimido[4, 5-e]-1, 2, 4-triazine (9CI), with the CAS registry number 255-01-6, is also known as 6-Azapteridine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H3N5 and molecular weight is 133.11. What's more, its systematic name is Pyrimido[4, 5-e][1, 2, 4]triazine.

Physical properties about Pyrimido[4, 5-e]-1, 2, 4-triazine (9CI) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.48; (5)ACD/KOC (pH 7.4): 1.48; (6)#H bond acceptors: 5; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 64.45 Å2; (10)Index of Refraction: 1.697; (11)Molar Refractivity: 34.55 cm3; (12)Molar Volume: 89.6 cm3; (13)Polarizability: 13.69×10-24 cm3; (14)Surface Tension: 97.6 dyne/cm; (15)Density: 1.484 g/cm3; (16)Flash Point: 128.5 °C; (17)Enthalpy of Vaporization: 48.63 kJ/mol; (18)Boiling Point: 268.6 °C at 760 mmHg; (19)Vapour Pressure: 0.0126 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1cnnc2cncnc12
(2) InChI: InChI=1/C5H3N5/c1-4-5(7-2-6-1)8-3-9-10-4/h1-3H
(3) InChIKey: MOLVBKBUIUHRRR-UHFFFAOYAV