1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea

C12H20N4O2 — CID 75457786

IUPAC1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccnnc1C
InChIInChI=1S/C12H20N4O2/c1-3-4-7-16(8-9-17)12(18)14-11-5-6-13-15-10(11)2/h5-6,17H,3-4,7-9H2,1-2H3,(H,13,14,18)
InChIKeyJIQSOMYGFOJUNJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.41
Rot. Bonds6

About 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea

1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea (PubChem CID 75457786) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea.

Molecular Properties

Compound Name1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea
PubChem CID75457786
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea
SMILESCCCCN(CCO)C(=O)Nc1ccnnc1C
InChIInChI=1S/C12H20N4O2/c1-3-4-7-16(8-9-17)12(18)14-11-5-6-13-15-10(11)2/h5-6,17H,3-4,7-9H2,1-2H3,(H,13,14,18)
InChIKeyJIQSOMYGFOJUNJ-UHFFFAOYSA-N
XLogP1.41
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-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-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea?
The IUPAC name of 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea (CID 75457786) is 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea.
What is the SMILES notation for 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea?
The canonical SMILES for 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea is CCCCN(CCO)C(=O)Nc1ccnnc1C.
What is the InChIKey of 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea?
The InChIKey is JIQSOMYGFOJUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-3-4-7-16(8-9-17)12(18)14-11-5-6-13-15-10(11)2/h5-6,17H,3-4,7-9H2,1-2H3,(H,13,14,18).
What are the key properties of 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea?
1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea has a molecular weight of 252.32 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-(2-hydroxyethyl)-3-(3-methylpyridazin-4-yl)urea is sourced from PubChem (CID 75457786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).