3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide

C12H10N6O3 — CID 62808582

IUPAC3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3nc(N)n[nH]3)cc2C1=O
InChIInChI=1S/C12H10N6O3/c1-18-10(20)6-3-2-5(4-7(6)11(18)21)14-9(19)8-15-12(13)17-16-8/h2-4H,1H3,(H,14,19)(H3,13,15,16,17)
InChIKeyUGYRIRDNPLOJAQ-UHFFFAOYSA-N
MW286.25 g/mol
LogP-0.14
Rot. Bonds2

About 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide

3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62808582) has the molecular formula C12H10N6O3 and a molecular weight of 286.25 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
PubChem CID62808582
Molecular FormulaC12H10N6O3
Molecular Weight286.25 g/mol
Exact Mass286.08
IUPAC Name3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide
SMILESCN1C(=O)c2ccc(NC(=O)c3nc(N)n[nH]3)cc2C1=O
InChIInChI=1S/C12H10N6O3/c1-18-10(20)6-3-2-5(4-7(6)11(18)21)14-9(19)8-15-12(13)17-16-8/h2-4H,1H3,(H,14,19)(H3,13,15,16,17)
InChIKeyUGYRIRDNPLOJAQ-UHFFFAOYSA-N
XLogP-0.14
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide (CID 62808582) is 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide is CN1C(=O)c2ccc(NC(=O)c3nc(N)n[nH]3)cc2C1=O.
What is the InChIKey of 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is UGYRIRDNPLOJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O3/c1-18-10(20)6-3-2-5(4-7(6)11(18)21)14-9(19)8-15-12(13)17-16-8/h2-4H,1H3,(H,14,19)(H3,13,15,16,17).
What are the key properties of 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 286.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-1,3-dioxoisoindol-5-yl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62808582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).