1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea

C13H21N5O2 — CID 13157690

IUPAC1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C13H21N5O2/c1-2-3-6-14-13(19)15-11-4-5-12(17-16-11)18-7-9-20-10-8-18/h4-5H,2-3,6-10H2,1H3,(H2,14,15,16,19)
InChIKeyACDUDQSZSCLFRH-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.23
Rot. Bonds5

About 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea

1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea (PubChem CID 13157690) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea.

Molecular Properties

Compound Name1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea
PubChem CID13157690
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea
SMILESCCCCNC(=O)Nc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C13H21N5O2/c1-2-3-6-14-13(19)15-11-4-5-12(17-16-11)18-7-9-20-10-8-18/h4-5H,2-3,6-10H2,1H3,(H2,14,15,16,19)
InChIKeyACDUDQSZSCLFRH-UHFFFAOYSA-N
XLogP1.23
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
2-(4-fluorophenyl)-N-(6-morpholin-4-ylpyridazin-3-yl)acetamide
CID 113039673
N-(6-morpholin-4-ylpyridazin-3-yl)-3,3-diphenylpropanamide
CID 113039669
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
1-(4-morpholin-4-ylphenyl)-3-propylurea
CID 2788991
N-(6-morpholin-4-ylpyridazin-3-yl)thiophene-2-carboxamide
CID 113039647
N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]pentanamide
CID 113045434
N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazin-3-yl]butanamide
CID 113043395
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
N-butyl-6-morpholin-4-ylpyridin-3-amine
CID 43724794
N-[(6-morpholin-4-ylpyridazin-3-yl)methyl]propan-1-amine
CID 62284393
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea?
The IUPAC name of 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea (CID 13157690) is 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea.
What is the SMILES notation for 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea?
The canonical SMILES for 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea is CCCCNC(=O)Nc1ccc(N2CCOCC2)nn1.
What is the InChIKey of 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea?
The InChIKey is ACDUDQSZSCLFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-3-6-14-13(19)15-11-4-5-12(17-16-11)18-7-9-20-10-8-18/h4-5H,2-3,6-10H2,1H3,(H2,14,15,16,19).
What are the key properties of 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea?
1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea has a molecular weight of 279.34 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(6-morpholin-4-ylpyridazin-3-yl)urea is sourced from PubChem (CID 13157690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).