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

C10H10N4O — CID 871044

IUPAC4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)13-10-11-6-12-14-10/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyQJNGEUXMEXYZNP-UHFFFAOYSA-N
MW202.22 g/mol
LogP1.37
Rot. Bonds2

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

4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 871044) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID871044
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ncn[nH]2)cc1
InChIInChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)13-10-11-6-12-14-10/h2-6H,1H3,(H2,11,12,13,14,15)
InChIKeyQJNGEUXMEXYZNP-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 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 871044) is 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ncn[nH]2)cc1.
What is the InChIKey of 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is QJNGEUXMEXYZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-7-2-4-8(5-3-7)9(15)13-10-11-6-12-14-10/h2-6H,1H3,(H2,11,12,13,14,15).
What are the key properties of 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
4-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 4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 871044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).