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

C10H10N4O — CID 814664

IUPAC4-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-8-2-4-9(5-3-8)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyRQXHGGYQZYQLAN-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.97
Rot. Bonds2

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

4-methyl-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 814664) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 4-methyl-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID814664
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name4-methyl-N-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H10N4O/c1-8-2-4-9(5-3-8)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyRQXHGGYQZYQLAN-UHFFFAOYSA-N
XLogP0.97
TPSA59.81 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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-methyl-N-(1,2,4-triazol-4-yl)benzamide (CID 814664) is 4-methyl-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-methyl-N-(1,2,4-triazol-4-yl)benzamide is Cc1ccc(C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is RQXHGGYQZYQLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c1-8-2-4-9(5-3-8)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15).
What are the key properties of 4-methyl-N-(1,2,4-triazol-4-yl)benzamide?
4-methyl-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 202.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 814664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).