3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

C11H12N4O2 — CID 30865163

IUPAC3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ncn[nH]2)ccc1C
InChIInChI=1S/C11H12N4O2/c1-7-3-4-8(5-9(7)17-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyKLAXVGYNYOWJJE-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.37
Rot. Bonds3

About 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide

3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 30865163) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID30865163
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCOc1cc(C(=O)Nc2ncn[nH]2)ccc1C
InChIInChI=1S/C11H12N4O2/c1-7-3-4-8(5-9(7)17-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16)
InChIKeyKLAXVGYNYOWJJE-UHFFFAOYSA-N
XLogP1.37
TPSA79.90 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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Salicyloylaminotriazole
CID 94473
2-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 748724
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
4-isobutoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2993321
3-methoxy-N-(4H-1,2,4-triazol-4-yl)benzamide
CID 814685
4-ethoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 590988
(3-Amino-1,2,4-triazol-4-yl)-(3,5-dimethoxyphenyl)methanone
CID 936917
4-(2,3-dimethoxybenzoyl)-4H-1,2,4-triazol-3-amine
CID 2226284
(3-Amino-[1,2,4]triazol-4-yl)-(4-methoxy-phenyl)-methanone
CID 2938648
1-(4-methoxybenzoyl)-1H-1,2,4-triazol-3-amine
CID 3235777
2,3-dimethoxy-N-(1,2,4-triazol-4-ylcarbamothioyl)benzamide
CID 4027510
3,5-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 750212

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide (CID 30865163) is 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is COc1cc(C(=O)Nc2ncn[nH]2)ccc1C.
What is the InChIKey of 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is KLAXVGYNYOWJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-7-3-4-8(5-9(7)17-2)10(16)14-11-12-6-13-15-11/h3-6H,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide?
3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 232.24 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-methyl-N-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 30865163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).