4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide

C9H18N6O2 — CID 14405282

IUPAC4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCc1nn(C(=O)NC(C)CN(C)C)c(=O)n1N
InChIInChI=1S/C9H18N6O2/c1-6(5-13(3)4)11-8(16)15-9(17)14(10)7(2)12-15/h6H,5,10H2,1-4H3,(H,11,16)
InChIKeySKESAFBCWLXFHB-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.43
Rot. Bonds3

About 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide

4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 14405282) has the molecular formula C9H18N6O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID14405282
Molecular FormulaC9H18N6O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Name4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCc1nn(C(=O)NC(C)CN(C)C)c(=O)n1N
InChIInChI=1S/C9H18N6O2/c1-6(5-13(3)4)11-8(16)15-9(17)14(10)7(2)12-15/h6H,5,10H2,1-4H3,(H,11,16)
InChIKeySKESAFBCWLXFHB-UHFFFAOYSA-N
XLogP-1.43
TPSA98.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-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 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 14405282) is 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide is Cc1nn(C(=O)NC(C)CN(C)C)c(=O)n1N.
What is the InChIKey of 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is SKESAFBCWLXFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N6O2/c1-6(5-13(3)4)11-8(16)15-9(17)14(10)7(2)12-15/h6H,5,10H2,1-4H3,(H,11,16).
What are the key properties of 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide?
4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 242.28 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(dimethylamino)propan-2-yl]-3-methyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14405282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).