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

C12H14N4O2 — CID 113358719

IUPAC4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCc2ncn(C)n2)ccc1O
InChIInChI=1S/C12H14N4O2/c1-8-5-9(3-4-10(8)17)12(18)13-6-11-14-7-16(2)15-11/h3-5,7,17H,6H2,1-2H3,(H,13,18)
InChIKeyZDCCKXGMZOAFSJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.76
Rot. Bonds3

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

4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 113358719) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID113358719
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCc1cc(C(=O)NCc2ncn(C)n2)ccc1O
InChIInChI=1S/C12H14N4O2/c1-8-5-9(3-4-10(8)17)12(18)13-6-11-14-7-16(2)15-11/h3-5,7,17H,6H2,1-2H3,(H,13,18)
InChIKeyZDCCKXGMZOAFSJ-UHFFFAOYSA-N
XLogP0.76
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 103884841
3-methyl-4-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 80685923
4-hydroxy-3-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103956033
4-hydroxy-3-methyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 103956948
4-hydroxy-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103951655
3-bromo-5-chloro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113345383
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103957294
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3,4-dimethylbenzamide
CID 19329054
5-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]furan-2-carboxamide
CID 103883547
N-[(5-chlorothiophen-2-yl)methyl]-4-hydroxy-3-methylbenzamide
CID 103956442

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 113358719) is 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide is Cc1cc(C(=O)NCc2ncn(C)n2)ccc1O.
What is the InChIKey of 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is ZDCCKXGMZOAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-8-5-9(3-4-10(8)17)12(18)13-6-11-14-7-16(2)15-11/h3-5,7,17H,6H2,1-2H3,(H,13,18).
What are the key properties of 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 246.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 113358719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).