1-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}methyl)-1H-1,2,4-triazole

1-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}methyl)-1H-1,2,4-triazole

CAS: 143131-66-2

Formula: C12H12N6

SMILES: C(N1C=NC=N1)C1=CC=C(CN2C=NC=N2)C=C1

IUPAC: 1-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}methyl)-1H-1,2,4-triazole

InChI: InChI=1S/C12H12N6/c1-2-12(6-18-10-14-8-16-18)4-3-11(1)5-17-9-13-7-15-17/h1-4,7-10H,5-6H2

Composition: C (59.99%), H (5.03%), N (34.98%)

Molar Mass: 240.27

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	240.11234441
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SDAUVSLAZIXWAU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.44
Topological Polar Surface Area	61.42
Polarizability	24.89
Ring Count	3
Rotatable Bond Count	4

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