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

C9H7ClN4O2 — CID 6481047

IUPAC5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1cc(Cl)ccc1O
InChIInChI=1S/C9H7ClN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyLETFRYHPKFGILH-UHFFFAOYSA-N
MW238.63 g/mol
LogP1.02
Rot. Bonds2

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

5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (PubChem CID 6481047) has the molecular formula C9H7ClN4O2 and a molecular weight of 238.63 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
PubChem CID6481047
Molecular FormulaC9H7ClN4O2
Molecular Weight238.63 g/mol
Exact Mass238.03
IUPAC Name5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(Nn1cncn1)c1cc(Cl)ccc1O
InChIInChI=1S/C9H7ClN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16)
InChIKeyLETFRYHPKFGILH-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

2-(((4H-1,2,4-triazol-4-yl)amino)methyl)-4-chlorophenol
CID 1079722
5-chloro-2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 669777
2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481016
5-chloro-2-hydroxy-N-(tetrazol-5-yl)benzamide
CID 12962781
2-hydroxy-4-methyl-N-(1,2,4-triazol-1-yl)benzamide
CID 6481020
4-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481033
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
2-hydroxy-N-(1,2,4-triazol-4-yl)benzamide
CID 459485
5-fluoro-2-hydroxy-N-(1,2,4-triazol-4-yl)benzamide
CID 73946938
5-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 33513507
3-chloro-2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 70469561

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide (CID 6481047) is 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is O=C(Nn1cncn1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LETFRYHPKFGILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2/c10-6-1-2-8(15)7(3-6)9(16)13-14-5-11-4-12-14/h1-5,15H,(H,13,16).
What are the key properties of 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide?
5-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 5-chloro-2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 6481047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).