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

C11H13F3N4O — CID 126796624

IUPAC1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea
SMILESCC(NC(=O)Nc1ccc(C2CC2)nn1)C(F)(F)F
InChIInChI=1S/C11H13F3N4O/c1-6(11(12,13)14)15-10(19)16-9-5-4-8(17-18-9)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,16,18,19)
InChIKeyPWIRDAIGGNQYKX-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.43
Rot. Bonds3

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

1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea (PubChem CID 126796624) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea.

Molecular Properties

Compound Name1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea
PubChem CID126796624
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea
SMILESCC(NC(=O)Nc1ccc(C2CC2)nn1)C(F)(F)F
InChIInChI=1S/C11H13F3N4O/c1-6(11(12,13)14)15-10(19)16-9-5-4-8(17-18-9)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,16,18,19)
InChIKeyPWIRDAIGGNQYKX-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)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-(1,1,1-trifluoropropan-2-yl)urea?
The IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea (CID 126796624) is 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea.
What is the SMILES notation for 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea?
The canonical SMILES for 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea is CC(NC(=O)Nc1ccc(C2CC2)nn1)C(F)(F)F.
What is the InChIKey of 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea?
The InChIKey is PWIRDAIGGNQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-6(11(12,13)14)15-10(19)16-9-5-4-8(17-18-9)7-2-3-7/h4-7H,2-3H2,1H3,(H2,15,16,18,19).
What are the key properties of 1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea?
1-(6-cyclopropylpyridazin-3-yl)-3-(1,1,1-trifluoropropan-2-yl)urea has a molecular weight of 274.25 g/mol, XLogP of 2.43, 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-(1,1,1-trifluoropropan-2-yl)urea is sourced from PubChem (CID 126796624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).