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25433-36-7 | 3-(2-Pyridyl)-5-methyl-1,2,4-triazole
CAS No: 25433-36-7 Catalog No: AG003AVU MDL No:MFCD11106659
Product Description
Catalog Number:
AG003AVU
Chemical Name:
3-(2-Pyridyl)-5-methyl-1,2,4-triazole
CAS Number:
25433-36-7
Molecular Formula:
C8H8N4
Molecular Weight:
160.1759
MDL Number:
MFCD11106659
IUPAC Name:
2-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
InChI:
InChI=1S/C8H8N4/c1-6-10-8(12-11-6)7-4-2-3-5-9-7/h2-5H,1H3,(H,10,11,12)
InChI Key:
BJDVHKDTPXZGEZ-UHFFFAOYSA-N
SMILES:
Cc1nnc([nH]1)c1ccccn1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.075g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
160.18g/mol
Monoisotopic Mass:
160.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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