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

C11H13N5O2 — CID 62873358

IUPAC3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N)n[nH]2)c(C)c1
InChIInChI=1S/C11H13N5O2/c1-6-5-7(18-2)3-4-8(6)13-10(17)9-14-11(12)16-15-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFPZNQYTVLSWXIV-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.96
Rot. Bonds3

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

3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62873358) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62873358
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2nc(N)n[nH]2)c(C)c1
InChIInChI=1S/C11H13N5O2/c1-6-5-7(18-2)3-4-8(6)13-10(17)9-14-11(12)16-15-9/h3-5H,1-2H3,(H,13,17)(H3,12,14,15,16)
InChIKeyFPZNQYTVLSWXIV-UHFFFAOYSA-N
XLogP0.96
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(2,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807152
3-amino-N-[4-(methanesulfonamido)-3-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807917
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
3-amino-N-[(2,5-dimethoxyphenyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 62793362
2-amino-6-chloro-N-(4-methoxy-2-methylphenyl)pyridine-4-carboxamide
CID 62872287
4-amino-N-(4-methoxy-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81240718
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
4-amino-N-(4-methoxy-2-methylphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 66124203
3-amino-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-carboxamide
CID 5391799
1-amino-3-(4-methoxy-2-methylphenyl)urea
CID 62872642
4-amino-3-hydroxy-N-(4-methoxy-2-methylphenyl)benzamide
CID 107075184
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 63111547

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 62873358) is 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is COc1ccc(NC(=O)c2nc(N)n[nH]2)c(C)c1.
What is the InChIKey of 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is FPZNQYTVLSWXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-6-5-7(18-2)3-4-8(6)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-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 247.26 g/mol, XLogP of 0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62873358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).