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

C10H10N4O2 — CID 1115354

IUPAC2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCn1cncn1)c1ccccc1O
InChIInChI=1S/C10H10N4O2/c15-9-4-2-1-3-8(9)10(16)12-7-14-6-11-5-13-14/h1-6,15H,7H2,(H,12,16)
InChIKeyZYXWQZWNABZPTA-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.37
Rot. Bonds3

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

2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 1115354) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID1115354
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCn1cncn1)c1ccccc1O
InChIInChI=1S/C10H10N4O2/c15-9-4-2-1-3-8(9)10(16)12-7-14-6-11-5-13-14/h1-6,15H,7H2,(H,12,16)
InChIKeyZYXWQZWNABZPTA-UHFFFAOYSA-N
XLogP0.37
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
CID 6481016
2-chloro-N-[2-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]ethyl]benzamide
CID 55659343
1-phenyl-2-(1,2,4-triazol-1-yl)ethanone
CID 2764809
2-propan-2-ylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55556512
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
2-chloro-N-[(2S)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 40501662
2-chloro-N-[(2R)-2-(1,2,4-triazol-1-yl)propyl]benzamide
CID 40501663
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225
2-fluoro-N-[2-oxo-2-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 18132472
N-[2-(4-aminopyrazol-1-yl)ethyl]-2-hydroxybenzamide
CID 115319755
2-methyl-N-[3-oxo-3-[1-(1,2,4-triazol-1-yl)propan-2-ylamino]propyl]benzamide
CID 60518268

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide (CID 1115354) is 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(NCn1cncn1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is ZYXWQZWNABZPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-9-4-2-1-3-8(9)10(16)12-7-14-6-11-5-13-14/h1-6,15H,7H2,(H,12,16).
What are the key properties of 2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide?
2-hydroxy-N-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 218.22 g/mol, XLogP of 0.37, 3 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-ylmethyl)benzamide is sourced from PubChem (CID 1115354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).