4-methoxy-N-(1,2,4-triazol-4-yl)benzamide

C10H10N4O2 — CID 814682

IUPAC4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H10N4O2/c1-16-9-4-2-8(3-5-9)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyRPMGWKPGASTCEI-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.67
Rot. Bonds3

About 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide

4-methoxy-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 814682) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID814682
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name4-methoxy-N-(1,2,4-triazol-4-yl)benzamide
SMILESCOc1ccc(C(=O)Nn2cnnc2)cc1
InChIInChI=1S/C10H10N4O2/c1-16-9-4-2-8(3-5-9)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15)
InChIKeyRPMGWKPGASTCEI-UHFFFAOYSA-N
XLogP0.67
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-(1,2,4-triazol-4-yl)benzamide
CID 936109
N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108510281
4-methoxy-N-(2-oxoazet-1-yl)benzamide
CID 174440872
4-methoxy-N-(4-methylpiperazin-1-yl)benzamide
CID 4605350
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
N-formyl-4-methoxybenzamide
CID 10856056
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135591078
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135474620
2-N',6-N'-bis(4-methoxybenzoyl)pyridine-2,6-dicarbohydrazide
CID 43070155
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
N-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-4-methoxybenzamide
CID 98048902

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide (CID 814682) is 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide is COc1ccc(C(=O)Nn2cnnc2)cc1.
What is the InChIKey of 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is RPMGWKPGASTCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-16-9-4-2-8(3-5-9)10(15)13-14-6-11-12-7-14/h2-7H,1H3,(H,13,15).
What are the key properties of 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide?
4-methoxy-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 218.22 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 814682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).