3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide

C6H10N4O3 — CID 89069884

IUPAC3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCNC(=O)n1nc(OC)n(C)c1=O
InChIInChI=1S/C6H10N4O3/c1-7-4(11)10-6(12)9(2)5(8-10)13-3/h1-3H3,(H,7,11)
InChIKeyUSOYGQHLWJDGRQ-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.22
Rot. Bonds1

About 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide

3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 89069884) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID89069884
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCNC(=O)n1nc(OC)n(C)c1=O
InChIInChI=1S/C6H10N4O3/c1-7-4(11)10-6(12)9(2)5(8-10)13-3/h1-3H3,(H,7,11)
InChIKeyUSOYGQHLWJDGRQ-UHFFFAOYSA-N
XLogP-1.22
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-N,4-dimethyl-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 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide (CID 89069884) is 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide is CNC(=O)n1nc(OC)n(C)c1=O.
What is the InChIKey of 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is USOYGQHLWJDGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3/c1-7-4(11)10-6(12)9(2)5(8-10)13-3/h1-3H3,(H,7,11).
What are the key properties of 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide?
3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 186.17 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,4-dimethyl-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 89069884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).