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

C9H7ClN4O2 — CID 6481033

IUPAC4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1ccc(Cl)cc1O
InChIInChI=1S/C9H7ClN4O2/c10-6-1-2-7(8(15)3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyIKRZPSGPEWQNHU-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.02
Rot. Bonds2

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

4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (PubChem CID 6481033) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
PubChem CID6481033
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1ccc(Cl)cc1O
InChIInChI=1S/C9H7ClN4O2/c10-6-1-2-7(8(15)3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyIKRZPSGPEWQNHU-UHFFFAOYSA-N
XLogP1.02
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.63
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 669777
1-(4-Chloro-2-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 15528059
1-(4-Chloro-2-hydroxyphenyl)-2-(4H-1,2,4-triazol-4-yl)ethanone
CID 15530080
2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chloro-2-hydroxyphenyl)ethanone bromide
CID 24936211
2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481016
2-hydroxy-4-methyl-N-(1,2,4-triazol-1-yl)benzamide
CID 6481020
5-fluoro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481038
5-bromo-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481043
5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481047
2-hydroxy-N-(1,2,4-triazol-4-yl)benzamide
CID 459485
2-(4-Amino-1,2,4-triazol-4-ium-1-yl)-1-(4-chloro-2-hydroxyphenyl)ethanone
CID 24936212
5-fluoro-2-hydroxy-N-(1,2,4-triazol-4-yl)benzamide
CID 73946938

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (CID 6481033) is 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is O=C(Nn1cncn1)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is IKRZPSGPEWQNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-6-1-2-7(8(15)3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16).
What are the key properties of 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 238.63 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 6481033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).