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

C10H10N4O — CID 576827

IUPAC2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H10N4O/c1-7-4-2-3-5-8(7)9(15)13-10-11-6-12-14-10/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyNRDPAVBUAFNMJA-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.37
Rot. Bonds2

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

2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 576827) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID576827
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccccc1C(=O)Nc1ncn[nH]1
InChIInChI=1S/C10H10N4O/c1-7-4-2-3-5-8(7)9(15)13-10-11-6-12-14-10/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyNRDPAVBUAFNMJA-UHFFFAOYSA-N
XLogP1.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 576827) is 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is Cc1ccccc1C(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is NRDPAVBUAFNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-4-2-3-5-8(7)9(15)13-10-11-6-12-14-10/h2-6H,1H3,(H2,11,12,13,14,15).
What are the key properties of 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 202.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 576827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).