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

C9H8N4O2 — CID 6481016

IUPAC2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1ccccc1O
InChIInChI=1S/C9H8N4O2/c14-8-4-2-1-3-7(8)9(15)12-13-6-10-5-11-13/h1-6,14H,(H,12,15)
InChIKeyBRTPQAVOHMEJTK-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.37
Rot. Bonds2

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

2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (PubChem CID 6481016) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
PubChem CID6481016
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1ccccc1O
InChIInChI=1S/C9H8N4O2/c14-8-4-2-1-3-7(8)9(15)12-13-6-10-5-11-13/h1-6,14H,(H,12,15)
InChIKeyBRTPQAVOHMEJTK-UHFFFAOYSA-N
XLogP0.37
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (CID 6481016) is 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is O=C(Nn1cncn1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is BRTPQAVOHMEJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-8-4-2-1-3-7(8)9(15)12-13-6-10-5-11-13/h1-6,14H,(H,12,15).
What are the key properties of 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 204.19 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 6481016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).