5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide

C11H13N5O3 — CID 110484954

IUPAC5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]nc2N)cc1OC
InChIInChI=1S/C11H13N5O3/c1-18-7-4-3-6(5-8(7)19-2)13-11(17)9-10(12)15-16-14-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyOKTJIZSSTXTKRN-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.66
Rot. Bonds4

About 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide

5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide (PubChem CID 110484954) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
PubChem CID110484954
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2n[nH]nc2N)cc1OC
InChIInChI=1S/C11H13N5O3/c1-18-7-4-3-6(5-8(7)19-2)13-11(17)9-10(12)15-16-14-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyOKTJIZSSTXTKRN-UHFFFAOYSA-N
XLogP0.66
TPSA115.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(3,4-dimethoxyphenyl)-1,2,5-oxadiazole-3-carboxamide
CID 17085500
(3,4-dimethoxyphenyl)urea
CID 21197430
5-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2H-triazole-4-carboxamide
CID 110485033
N-(3,4-dimethoxyphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832116
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582479
4-amino-N-(3,4-dimethoxyphenyl)pyridine-2-carboxamide
CID 62152522
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
CID 55744161
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
5-amino-N-(3,4-dimethoxyphenyl)-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 7386220
5-amino-N-(3,4-dimethoxyphenyl)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]triazole-4-carboxamide
CID 16798697

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The IUPAC name of 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide (CID 110484954) is 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide is COc1ccc(NC(=O)c2n[nH]nc2N)cc1OC.
What is the InChIKey of 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide?
The InChIKey is OKTJIZSSTXTKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-18-7-4-3-6(5-8(7)19-2)13-11(17)9-10(12)15-16-14-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide?
5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide has a molecular weight of 263.26 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,4-dimethoxyphenyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 110484954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).