5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid hydrochloride

5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid hydrochloride

CAS: 1609400-91-0

Formula: C8H9ClN4O2

SMILES: Cl.CC1=NC2=NC(=NN2C(C)=C1)C(O)=O

IUPAC: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid hydrochloride

InChI: InChI=1S/C8H8N4O2.ClH/c1-4-3-5(2)12-8(9-4)10-6(11-12)7(13)14;/h3H,1-2H3,(H,13,14);1H

Composition: C (42.03%), H (3.97%), Cl (15.50%), N (24.51%), O (14.00%)

Molar Mass: 228.64

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	228.0414032
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UJLMZWGPSTUXJI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.26
Topological Polar Surface Area	80.38
Polarizability	17.51
Ring Count	2
Rotatable Bond Count	1

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