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

C12H14N4O3 — CID 103884841

IUPAC3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ncn(C)n2)cc1O
InChIInChI=1S/C12H14N4O3/c1-16-7-14-11(15-16)6-13-12(18)8-3-4-10(19-2)9(17)5-8/h3-5,7,17H,6H2,1-2H3,(H,13,18)
InChIKeyCDZRXULBAVZOIH-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.46
Rot. Bonds4

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

3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide (PubChem CID 103884841) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
PubChem CID103884841
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2ncn(C)n2)cc1O
InChIInChI=1S/C12H14N4O3/c1-16-7-14-11(15-16)6-13-12(18)8-3-4-10(19-2)9(17)5-8/h3-5,7,17H,6H2,1-2H3,(H,13,18)
InChIKeyCDZRXULBAVZOIH-UHFFFAOYSA-N
XLogP0.46
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-3-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 113358719
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-hydroxy-4-methoxybenzamide
CID 106372869
3-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxybenzamide
CID 79589957
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
3-hydroxy-4-methoxy-N-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 80716625
3-hydroxy-4-methoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 103862858

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide (CID 103884841) is 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide is COc1ccc(C(=O)NCc2ncn(C)n2)cc1O.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
The InChIKey is CDZRXULBAVZOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-16-7-14-11(15-16)6-13-12(18)8-3-4-10(19-2)9(17)5-8/h3-5,7,17H,6H2,1-2H3,(H,13,18).
What are the key properties of 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide?
3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide has a molecular weight of 262.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzamide is sourced from PubChem (CID 103884841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).