2-methyl-5-(1,2,4-triazol-4-yl)benzamide

C10H10N4O — CID 68605701

IUPAC2-methyl-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(-n2cnnc2)cc1C(N)=O
InChIInChI=1S/C10H10N4O/c1-7-2-3-8(4-9(7)10(11)15)14-5-12-13-6-14/h2-6H,1H3,(H2,11,15)
InChIKeyISUKMAAEVYQEGX-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.67
Rot. Bonds2

About 2-methyl-5-(1,2,4-triazol-4-yl)benzamide

2-methyl-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 68605701) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-methyl-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID68605701
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-methyl-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(-n2cnnc2)cc1C(N)=O
InChIInChI=1S/C10H10N4O/c1-7-2-3-8(4-9(7)10(11)15)14-5-12-13-6-14/h2-6H,1H3,(H2,11,15)
InChIKeyISUKMAAEVYQEGX-UHFFFAOYSA-N
XLogP0.67
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(1,2,4-triazol-4-yl)benzoic acid
CID 63652848
2-methyl-5-(4-methylimidazol-1-yl)benzamide
CID 68604922
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
[2-methyl-5-(1,2,4-triazol-4-yl)phenyl]methanamine
CID 84661549
4-imidazol-1-yl-2-methylbenzamide
CID 81276047
2-methyl-5-methylsulfonyl-N-[4-(1,2,4-triazol-4-yl)phenyl]benzamide
CID 166181364
2-methyl-5-nitrosobenzamide
CID 142265489
2-[(1-amino-2-chloroethylidene)amino]-4-(1,2,4-triazol-4-yl)benzoic acid
CID 169365884
2-methyl-5-(2-methyl-4-pyridinyl)benzamide
CID 68606460
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
2-chloro-N-(2-hydroxy-4-methylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
CID 834469
2,4-dimethylbenzene-1,3-dicarboxamide
CID 19767105

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-methyl-5-(1,2,4-triazol-4-yl)benzamide (CID 68605701) is 2-methyl-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-methyl-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-methyl-5-(1,2,4-triazol-4-yl)benzamide is Cc1ccc(-n2cnnc2)cc1C(N)=O.
What is the InChIKey of 2-methyl-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is ISUKMAAEVYQEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-2-3-8(4-9(7)10(11)15)14-5-12-13-6-14/h2-6H,1H3,(H2,11,15).
What are the key properties of 2-methyl-5-(1,2,4-triazol-4-yl)benzamide?
2-methyl-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 202.22 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 68605701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).