2-(1H-1,2,4-triazol-5-yloxy)benzamide

C9H8N4O2 — CID 150824646

IUPAC2-(1H-1,2,4-triazol-5-yloxy)benzamide
SMILESNC(=O)c1ccccc1Oc1ncn[nH]1
InChIInChI=1S/C9H8N4O2/c10-8(14)6-3-1-2-4-7(6)15-9-11-5-12-13-9/h1-5H,(H2,10,14)(H,11,12,13)
InChIKeyKKQWOXINVJQCNH-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.70
Rot. Bonds3

About 2-(1H-1,2,4-triazol-5-yloxy)benzamide

2-(1H-1,2,4-triazol-5-yloxy)benzamide (PubChem CID 150824646) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yloxy)benzamide.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yloxy)benzamide
PubChem CID150824646
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-(1H-1,2,4-triazol-5-yloxy)benzamide
SMILESNC(=O)c1ccccc1Oc1ncn[nH]1
InChIInChI=1S/C9H8N4O2/c10-8(14)6-3-1-2-4-7(6)15-9-11-5-12-13-9/h1-5H,(H2,10,14)(H,11,12,13)
InChIKeyKKQWOXINVJQCNH-UHFFFAOYSA-N
XLogP0.70
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(5-formylpyrimidin-2-yl)oxybenzamide
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2-[2-(hydroxymethyl)phenoxy]benzamide
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2-(3-aminoquinolin-4-yl)oxybenzamide
CID 103963644
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
2-(5-bromo-2-chloropyrimidin-4-yl)oxybenzamide
CID 79076427
2-[(4-chloro-1,2,5-thiadiazol-3-yl)oxy]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yloxy)benzamide?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yloxy)benzamide (CID 150824646) is 2-(1H-1,2,4-triazol-5-yloxy)benzamide.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yloxy)benzamide?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yloxy)benzamide is NC(=O)c1ccccc1Oc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yloxy)benzamide?
The InChIKey is KKQWOXINVJQCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c10-8(14)6-3-1-2-4-7(6)15-9-11-5-12-13-9/h1-5H,(H2,10,14)(H,11,12,13).
What are the key properties of 2-(1H-1,2,4-triazol-5-yloxy)benzamide?
2-(1H-1,2,4-triazol-5-yloxy)benzamide has a molecular weight of 204.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yloxy)benzamide is sourced from PubChem (CID 150824646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).