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

C17H16N4O2 — CID 167842332

IUPAC3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1O
InChIInChI=1S/C17H16N4O2/c1-11-7-8-13(9-14(11)22)17(23)18-10-15-19-16(21-20-15)12-5-3-2-4-6-12/h2-9,22H,10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyAPNAETTYIGLFPW-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.42
Rot. Bonds4

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

3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide (PubChem CID 167842332) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
PubChem CID167842332
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1O
InChIInChI=1S/C17H16N4O2/c1-11-7-8-13(9-14(11)22)17(23)18-10-15-19-16(21-20-15)12-5-3-2-4-6-12/h2-9,22H,10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyAPNAETTYIGLFPW-UHFFFAOYSA-N
XLogP2.42
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 53008569
4-amino-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 82569636
3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 126468209
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
1-[2-(dimethylamino)ethyl]-3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]urea
CID 146075662
3-phenoxy-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 117074450
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 56524502
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
CID 77083716
2-chloro-N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]pyridine-4-carboxamide
CID 56801937
5,6-dimethyl-2-oxo-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1H-pyridine-3-carboxamide
CID 70744904
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56524427
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The IUPAC name of 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide (CID 167842332) is 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide is Cc1ccc(C(=O)NCc2nc(-c3ccccc3)n[nH]2)cc1O.
What is the InChIKey of 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
The InChIKey is APNAETTYIGLFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-7-8-13(9-14(11)22)17(23)18-10-15-19-16(21-20-15)12-5-3-2-4-6-12/h2-9,22H,10H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide?
3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide has a molecular weight of 308.34 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]benzamide is sourced from PubChem (CID 167842332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).