3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide

C11H13N5O3 — CID 62807152

IUPAC3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N)n[nH]2)c(OC)c1
InChIInChI=1S/C11H13N5O3/c1-18-6-3-4-7(8(5-6)19-2)13-10(17)9-14-11(12)16-15-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFQNNJIIRXVLYNW-UHFFFAOYSA-N
MW263.26 g/mol
LogP0.66
Rot. Bonds4

About 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807152) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807152
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N)n[nH]2)c(OC)c1
InChIInChI=1S/C11H13N5O3/c1-18-6-3-4-7(8(5-6)19-2)13-10(17)9-14-11(12)16-15-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFQNNJIIRXVLYNW-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

3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62873358
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793362
N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 23908681
3-amino-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 5391799
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
N-(2,4-dimethoxyphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691766
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
4-amino-N-(2,4-dimethoxyphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116668043
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
3-chloro-N-(2,4-dimethoxyphenyl)thiophene-2-carboxamide
CID 110860597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 62807152) is 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide is COc1ccc(NC(=O)c2nc(N)n[nH]2)c(OC)c1.
What is the InChIKey of 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FQNNJIIRXVLYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-18-6-3-4-7(8(5-6)19-2)13-10(17)9-14-11(12)16-15-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16).
What are the key properties of 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-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 3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).