3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

C11H12N4O2 — CID 64512231

IUPAC3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H12N4O2/c1-15(6-10-12-7-13-14-10)11(17)8-3-2-4-9(16)5-8/h2-5,7,16H,6H2,1H3,(H,12,13,14)
InChIKeyRRYKLHWLGIMFPC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.78
Rot. Bonds3

About 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide

3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (PubChem CID 64512231) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
PubChem CID64512231
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
SMILESCN(Cc1ncn[nH]1)C(=O)c1cccc(O)c1
InChIInChI=1S/C11H12N4O2/c1-15(6-10-12-7-13-14-10)11(17)8-3-2-4-9(16)5-8/h2-5,7,16H,6H2,1H3,(H,12,13,14)
InChIKeyRRYKLHWLGIMFPC-UHFFFAOYSA-N
XLogP0.78
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-hydroxybut-1-ynyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64519478
2,6-dichloro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64516867
3,4,5-trifluoro-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511269
2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827
6-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]pyridine-2-carboxylic acid
CID 64519091
3-ethoxy-4-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510321
4-ethoxy-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510859
3-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)naphthalene-2-carboxamide
CID 64518259
N,3-dimethyl-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512232
3-amino-4-ethoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64510575
N-methyl-3-(methylamino)-4-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64516792
2-iodo-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64511840

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide (CID 64512231) is 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is CN(Cc1ncn[nH]1)C(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
The InChIKey is RRYKLHWLGIMFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-15(6-10-12-7-13-14-10)11(17)8-3-2-4-9(16)5-8/h2-5,7,16H,6H2,1H3,(H,12,13,14).
What are the key properties of 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide?
3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide is sourced from PubChem (CID 64512231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).