4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}aniline

4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}aniline

CAS: 1040326-79-1

Formula: C12H14N4

SMILES: NC1=CC=C(C=C1)C1=NN=C2CCCCN12

IUPAC: 4-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-3-yl}aniline

InChI: InChI=1S/C12H14N4/c13-10-6-4-9(5-7-10)12-15-14-11-3-1-2-8-16(11)12/h4-7H,1-3,8,13H2

Composition: C (67.27%), H (6.59%), N (26.15%)

Molar Mass: 214.272

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	214.121846467
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KCPFTLWQDHXIEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.86
Topological Polar Surface Area	56.73
Polarizability	24.14
Ring Count	3
Rotatable Bond Count	1

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