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

C10H10N6O2 — CID 62807336

IUPAC3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2nc(N)n[nH]2)cc1
InChIInChI=1S/C10H10N6O2/c11-7(17)5-1-3-6(4-2-5)13-9(18)8-14-10(12)16-15-8/h1-4H,(H2,11,17)(H,13,18)(H3,12,14,15,16)
InChIKeyCFOOTTBOWCRZON-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.26
Rot. Bonds3

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

3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62807336) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62807336
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESNC(=O)c1ccc(NC(=O)c2nc(N)n[nH]2)cc1
InChIInChI=1S/C10H10N6O2/c11-7(17)5-1-3-6(4-2-5)13-9(18)8-14-10(12)16-15-8/h1-4H,(H2,11,17)(H,13,18)(H3,12,14,15,16)
InChIKeyCFOOTTBOWCRZON-UHFFFAOYSA-N
XLogP-0.26
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenyl]carbamate
CID 62808434
3-amino-N-[4-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806146
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
3-amino-N-[4-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807351
3-amino-N-(1H-indazol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807012
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62807876
3-amino-N-(3-chloro-4-cyanophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 55115331
3-amino-N-[3-(2-methylpropanoylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807912
3-amino-N-(3-methylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62806279
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
3-amino-N-(3,5-dichloro-4-hydroxyphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 107680298
3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
CID 62808582

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 62807336) is 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide is NC(=O)c1ccc(NC(=O)c2nc(N)n[nH]2)cc1.
What is the InChIKey of 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is CFOOTTBOWCRZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-7(17)5-1-3-6(4-2-5)13-9(18)8-14-10(12)16-15-8/h1-4H,(H2,11,17)(H,13,18)(H3,12,14,15,16).
What are the key properties of 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 246.23 g/mol, XLogP of -0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62807336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).