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6-[(4-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

6-[(4-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

CAS: 656816-32-9

Formula: C14H13ClN4

SMILES: CC1=NC2=NC=NN2C(C)=C1CC1=CC=C(Cl)C=C1

IUPAC: 6-[(4-chlorophenyl)methyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1S/C14H13ClN4/c1-9-13(7-11-3-5-12(15)6-4-11)10(2)19-14(18-9)16-8-17-19/h3-6,8H,7H2,1-2H3

Composition: C (61.65%), H (4.80%), Cl (13.00%), N (20.54%)

Molar Mass: 272.74

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 272.0828741
Formal Charge 0
FSP3 0.21
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey WRVBZJXUVVGFHW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 87.89
Topological Polar Surface Area 43.08
Polarizability 28.27
Ring Count 3
Rotatable Bond Count 2

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