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

C10H10N4O2 — CID 140561603

IUPAC2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ncnn1NC(=O)c1ccccc1O
InChIInChI=1S/C10H10N4O2/c1-7-11-6-12-14(7)13-10(16)8-4-2-3-5-9(8)15/h2-6,15H,1H3,(H,13,16)
InChIKeyAAIICDZFBOPEFO-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.68
Rot. Bonds2

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

2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide (PubChem CID 140561603) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide
PubChem CID140561603
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide
SMILESCc1ncnn1NC(=O)c1ccccc1O
InChIInChI=1S/C10H10N4O2/c1-7-11-6-12-14(7)13-10(16)8-4-2-3-5-9(8)15/h2-6,15H,1H3,(H,13,16)
InChIKeyAAIICDZFBOPEFO-UHFFFAOYSA-N
XLogP0.68
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide (CID 140561603) is 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide is Cc1ncnn1NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide?
The InChIKey is AAIICDZFBOPEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-7-11-6-12-14(7)13-10(16)8-4-2-3-5-9(8)15/h2-6,15H,1H3,(H,13,16).
What are the key properties of 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide?
2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide has a molecular weight of 218.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(5-methyl-1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 140561603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).