2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

C12H11N5O — CID 168520871

IUPAC2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CC#N)c2)n[nH]1
InChIInChI=1S/C12H11N5O/c1-8-14-12(17-16-8)9-3-2-4-10(7-9)15-11(18)5-6-13/h2-4,7H,5H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyOATJFKOXTPOVFS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.63
Rot. Bonds3

About 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide

2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (PubChem CID 168520871) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
PubChem CID168520871
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
SMILESCc1nc(-c2cccc(NC(=O)CC#N)c2)n[nH]1
InChIInChI=1S/C12H11N5O/c1-8-14-12(17-16-8)9-3-2-4-10(7-9)15-11(18)5-6-13/h2-4,7H,5H2,1H3,(H,15,18)(H,14,16,17)
InChIKeyOATJFKOXTPOVFS-UHFFFAOYSA-N
XLogP1.63
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928275
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
3-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 54862643
2-(cyclopropylamino)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60928278
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]octanamide
CID 60552910
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 60928392
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
2-cyano-N-[3-(3-methylphenyl)phenyl]acetamide
CID 168520968
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55825920
2-(2-chlorophenoxy)-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 131949596
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609
2-amino-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]butanamide
CID 54862667

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide (CID 168520871) is 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is Cc1nc(-c2cccc(NC(=O)CC#N)c2)n[nH]1.
What is the InChIKey of 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
The InChIKey is OATJFKOXTPOVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-8-14-12(17-16-8)9-3-2-4-10(7-9)15-11(18)5-6-13/h2-4,7H,5H2,1H3,(H,15,18)(H,14,16,17).
What are the key properties of 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide?
2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide has a molecular weight of 241.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide is sourced from PubChem (CID 168520871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).