2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

C16H15N5O2 — CID 143616095

IUPAC2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1O)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H15N5O2/c1-10(18-16(23)12-4-2-3-5-13(12)22)14-19-15(21-20-14)11-6-8-17-9-7-11/h2-10,22H,1H3,(H,18,23)(H,19,20,21)
InChIKeyOBZFMYXLEDOQAQ-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.06
Rot. Bonds4

About 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide

2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (PubChem CID 143616095) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
PubChem CID143616095
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1O)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C16H15N5O2/c1-10(18-16(23)12-4-2-3-5-13(12)22)14-19-15(21-20-14)11-6-8-17-9-7-11/h2-10,22H,1H3,(H,18,23)(H,19,20,21)
InChIKeyOBZFMYXLEDOQAQ-UHFFFAOYSA-N
XLogP2.06
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 51493984
2-chloro-N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 7451552
1-benzyl-3-[(1S)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 7451545
2-chloro-N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
CID 7451540
2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide
CID 46963211
2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 16674422
3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 16672583
1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 16674426
N-[(1R)-1-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]ethyl]-3-phenylpropanamide
CID 7451536
5-acetyl-N-[1-(3-pyridin-3-yl-1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 46963206
2-hydroxy-N-(1-pyridin-3-ylethyl)benzamide
CID 43419974
tert-butyl N-[4-[(2,4-dihydroxybenzoyl)amino]-4-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)butyl]carbamate
CID 25106202

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The IUPAC name of 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide (CID 143616095) is 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1O)c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
The InChIKey is OBZFMYXLEDOQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10(18-16(23)12-4-2-3-5-13(12)22)14-19-15(21-20-14)11-6-8-17-9-7-11/h2-10,22H,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide?
2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide has a molecular weight of 309.33 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 143616095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).