N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide

C11H11N5O3 — CID 47381384

IUPACN-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H11N5O3/c1-19-9-3-2-6(10(12)17)4-7(9)14-11(18)8-5-13-16-15-8/h2-5H,1H3,(H2,12,17)(H,14,18)(H,13,15,16)
InChIKeyCGLODQBDYJLXQJ-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.16
Rot. Bonds4

About N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide

N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 47381384) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID47381384
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)c1cn[nH]n1
InChIInChI=1S/C11H11N5O3/c1-19-9-3-2-6(10(12)17)4-7(9)14-11(18)8-5-13-16-15-8/h2-5H,1H3,(H2,12,17)(H,14,18)(H,13,15,16)
InChIKeyCGLODQBDYJLXQJ-UHFFFAOYSA-N
XLogP0.16
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
3-(butanoylamino)-4-methoxybenzamide
CID 47243869
4-amino-N-(5-carbamoyl-2-methoxyphenyl)-6-chloropyrimidine-5-carboxamide
CID 90102707
4-chloro-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 63283058
4-methoxy-3-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374757
4-bromo-3-(2H-triazole-4-carbonylamino)benzoic acid
CID 114003870
N-(5-carbamoyl-2-methoxyphenyl)-1-(3-chlorophenyl)pyrazole-3-carboxamide
CID 55924906
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
3-[[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]amino]-4-methoxybenzamide
CID 94005114
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide (CID 47381384) is N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide is COc1ccc(C(N)=O)cc1NC(=O)c1cn[nH]n1.
What is the InChIKey of N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is CGLODQBDYJLXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-19-9-3-2-6(10(12)17)4-7(9)14-11(18)8-5-13-16-15-8/h2-5H,1H3,(H2,12,17)(H,14,18)(H,13,15,16).
What are the key properties of N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide?
N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 261.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-methoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 47381384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).