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

C7H9N7O2 — CID 62792653

IUPAC3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1noc(CNC(=O)c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H9N7O2/c1-3-10-4(16-14-3)2-9-6(15)5-11-7(8)13-12-5/h2H2,1H3,(H,9,15)(H3,8,11,12,13)
InChIKeyGCMNMCFRERPENW-UHFFFAOYSA-N
MW223.20 g/mol
LogP-0.99
Rot. Bonds3

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

3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (PubChem CID 62792653) has the molecular formula C7H9N7O2 and a molecular weight of 223.20 g/mol. Its IUPAC name is 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
PubChem CID62792653
Molecular FormulaC7H9N7O2
Molecular Weight223.20 g/mol
Exact Mass223.08
IUPAC Name3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide
SMILESCc1noc(CNC(=O)c2nc(N)n[nH]2)n1
InChIInChI=1S/C7H9N7O2/c1-3-10-4(16-14-3)2-9-6(15)5-11-7(8)13-12-5/h2H2,1H3,(H,9,15)(H3,8,11,12,13)
InChIKeyGCMNMCFRERPENW-UHFFFAOYSA-N
XLogP-0.99
TPSA135.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-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-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The IUPAC name of 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide (CID 62792653) is 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is Cc1noc(CNC(=O)c2nc(N)n[nH]2)n1.
What is the InChIKey of 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
The InChIKey is GCMNMCFRERPENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7O2/c1-3-10-4(16-14-3)2-9-6(15)5-11-7(8)13-12-5/h2H2,1H3,(H,9,15)(H3,8,11,12,13).
What are the key properties of 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide?
3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 223.20 g/mol, XLogP of -0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 62792653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).