1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea

C10H11F3N4O — CID 122132949

IUPAC1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc(C2CC2)nn1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)5-14-9(18)15-8-4-3-7(16-17-8)6-1-2-6/h3-4,6H,1-2,5H2,(H2,14,15,17,18)
InChIKeyOMYANTSZIXARQA-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.04
Rot. Bonds3

About 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea

1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea (PubChem CID 122132949) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea
PubChem CID122132949
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1ccc(C2CC2)nn1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)5-14-9(18)15-8-4-3-7(16-17-8)6-1-2-6/h3-4,6H,1-2,5H2,(H2,14,15,17,18)
InChIKeyOMYANTSZIXARQA-UHFFFAOYSA-N
XLogP2.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)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-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea (CID 122132949) is 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1ccc(C2CC2)nn1.
What is the InChIKey of 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is OMYANTSZIXARQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)5-14-9(18)15-8-4-3-7(16-17-8)6-1-2-6/h3-4,6H,1-2,5H2,(H2,14,15,17,18).
What are the key properties of 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea?
1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 260.22 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyridazin-3-yl)-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 122132949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).