1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

C12H16N6O2 — CID 75462294

IUPAC1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(=O)n(C)c1)c1nncn1C
InChIInChI=1S/C12H16N6O2/c1-8(11-16-13-7-18(11)3)14-12(20)15-9-4-5-10(19)17(2)6-9/h4-8H,1-3H3,(H2,14,15,20)
InChIKeyHOUBCHVFFOGYMG-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.40
Rot. Bonds3

About 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (PubChem CID 75462294) has the molecular formula C12H16N6O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
PubChem CID75462294
Molecular FormulaC12H16N6O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
SMILESCC(NC(=O)Nc1ccc(=O)n(C)c1)c1nncn1C
InChIInChI=1S/C12H16N6O2/c1-8(11-16-13-7-18(11)3)14-12(20)15-9-4-5-10(19)17(2)6-9/h4-8H,1-3H3,(H2,14,15,20)
InChIKeyHOUBCHVFFOGYMG-UHFFFAOYSA-N
XLogP0.40
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea 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 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The IUPAC name of 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea (CID 75462294) is 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The canonical SMILES for 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is CC(NC(=O)Nc1ccc(=O)n(C)c1)c1nncn1C.
What is the InChIKey of 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
The InChIKey is HOUBCHVFFOGYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2/c1-8(11-16-13-7-18(11)3)14-12(20)15-9-4-5-10(19)17(2)6-9/h4-8H,1-3H3,(H2,14,15,20).
What are the key properties of 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea?
1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea has a molecular weight of 276.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-6-oxo-3-pyridinyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea is sourced from PubChem (CID 75462294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).