3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

C13H16N6O2 — CID 62806832

IUPAC3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C13H16N6O2/c1-2-6-15-11(20)8-4-3-5-9(7-8)16-12(21)10-17-13(14)19-18-10/h3-5,7H,2,6H2,1H3,(H,15,20)(H,16,21)(H3,14,17,18,19)
InChIKeyOQQLTZMEZQVJNB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.78
Rot. Bonds5

About 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide

3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62806832) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62806832
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCCCNC(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1
InChIInChI=1S/C13H16N6O2/c1-2-6-15-11(20)8-4-3-5-9(7-8)16-12(21)10-17-13(14)19-18-10/h3-5,7H,2,6H2,1H3,(H,15,20)(H,16,21)(H3,14,17,18,19)
InChIKeyOQQLTZMEZQVJNB-UHFFFAOYSA-N
XLogP0.78
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912
3-[(2-aminoacetyl)amino]-N-propylbenzamide;hydrochloride
CID 119283116
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-amino-N-[3-(2-methylpropoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808459
3-[(2-amino-2-methylpentanoyl)amino]-N-propylbenzamide
CID 60848408
3-(ethylamino)-N-propylbenzamide
CID 43676038
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-fluoro-4-methyl-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 46465371
2-chloro-N-[3-(propylcarbamoyl)phenyl]furan-3-carboxamide
CID 106685876

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide (CID 62806832) is 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is CCCNC(=O)c1cccc(NC(=O)c2nc(N)n[nH]2)c1.
What is the InChIKey of 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is OQQLTZMEZQVJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-2-6-15-11(20)8-4-3-5-9(7-8)16-12(21)10-17-13(14)19-18-10/h3-5,7H,2,6H2,1H3,(H,15,20)(H,16,21)(H3,14,17,18,19).
What are the key properties of 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(propylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62806832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).