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

C11H12N6O2 — CID 62805976

IUPAC3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1c(NC(=O)c2nc(N)n[nH]2)cccc1C(N)=O
InChIInChI=1S/C11H12N6O2/c1-5-6(8(12)18)3-2-4-7(5)14-10(19)9-15-11(13)17-16-9/h2-4H,1H3,(H2,12,18)(H,14,19)(H3,13,15,16,17)
InChIKeyJLGKJHUMKMKFNN-UHFFFAOYSA-N
MW260.26 g/mol
LogP0.05
Rot. Bonds3

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

3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62805976) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62805976
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
SMILESCc1c(NC(=O)c2nc(N)n[nH]2)cccc1C(N)=O
InChIInChI=1S/C11H12N6O2/c1-5-6(8(12)18)3-2-4-7(5)14-10(19)9-15-11(13)17-16-9/h2-4H,1H3,(H2,12,18)(H,14,19)(H3,13,15,16,17)
InChIKeyJLGKJHUMKMKFNN-UHFFFAOYSA-N
XLogP0.05
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807691
N-(3-carbamoyl-2-methylphenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 34577805
2-N-(3-carbamoyl-2-methylphenyl)-1H-pyrrole-2,4-dicarboxamide
CID 166225226
3-amino-N-(4-carbamoylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807336
3-amino-N-[2-(difluoromethylsulfanyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62806098
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-hydroxybenzoic acid
CID 62792673
N-(3-acetylphenyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
CID 62793864
2-[2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63746198
3-amino-N-(4-methoxy-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62873358
2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-5-iodobenzoic acid
CID 63111547
2-(2-aminoethyl)-N-(3-carbamoyl-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66390219
3-amino-N-(5-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 112557719

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide (CID 62805976) is 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is Cc1c(NC(=O)c2nc(N)n[nH]2)cccc1C(N)=O.
What is the InChIKey of 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is JLGKJHUMKMKFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c1-5-6(8(12)18)3-2-4-7(5)14-10(19)9-15-11(13)17-16-9/h2-4H,1H3,(H2,12,18)(H,14,19)(H3,13,15,16,17).
What are the key properties of 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 260.26 g/mol, XLogP of 0.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-carbamoyl-2-methylphenyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62805976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).