3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C12H14N4O — CID 54883677

IUPAC3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4O/c1-8-3-9(2)5-10(4-8)12(17)13-6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFFELONLYZISXRY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.35
Rot. Bonds3

About 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 54883677) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID54883677
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCc1cc(C)cc(C(=O)NCc2ncn[nH]2)c1
InChIInChI=1S/C12H14N4O/c1-8-3-9(2)5-10(4-8)12(17)13-6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16)
InChIKeyFFELONLYZISXRY-UHFFFAOYSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 54883827
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
2-(2-hydroxypropan-2-yl)-6-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 70890690
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 55021438
3-iodo-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60983434
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796
4-chloro-3-methylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 60982539
2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113277765
5-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)furan-2-carboxamide
CID 60982681
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole-4-carboxamide
CID 146121809
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 54883677) is 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is Cc1cc(C)cc(C(=O)NCc2ncn[nH]2)c1.
What is the InChIKey of 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is FFELONLYZISXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-3-9(2)5-10(4-8)12(17)13-6-11-14-7-15-16-11/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,15,16).
What are the key properties of 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 230.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 54883677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).