1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea

C17H27N5O — CID 113045369

IUPAC1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(N2CCCCCC2)nn1)NC1CCCCC1
InChIInChI=1S/C17H27N5O/c23-17(18-14-8-4-3-5-9-14)19-15-10-11-16(21-20-15)22-12-6-1-2-7-13-22/h10-11,14H,1-9,12-13H2,(H2,18,19,20,23)
InChIKeyCLRXADLEZXIXNL-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.31
Rot. Bonds3

About 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea

1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea (PubChem CID 113045369) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
PubChem CID113045369
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
SMILESO=C(Nc1ccc(N2CCCCCC2)nn1)NC1CCCCC1
InChIInChI=1S/C17H27N5O/c23-17(18-14-8-4-3-5-9-14)19-15-10-11-16(21-20-15)22-12-6-1-2-7-13-22/h10-11,14H,1-9,12-13H2,(H2,18,19,20,23)
InChIKeyCLRXADLEZXIXNL-UHFFFAOYSA-N
XLogP3.31
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]urea
CID 113043162
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450
1-cyclohexyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]urea
CID 11340510
N-(6-pyrrolidin-1-ylpyridazin-3-yl)oxolane-2-carboxamide
CID 113038690
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
CID 113049830
1-cyclohexyl-3-[6-(cyclohexylcarbamoylamino)-2-pyridinyl]urea
CID 4149033
1-(4-hydroxycyclohexyl)-3-(6-pyrrolidin-1-yl-3-pyridinyl)urea
CID 75461240
N-cyclopentyl-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53035075
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
CID 113030823
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212

Frequently Asked Questions

What is the IUPAC name of 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea?
The IUPAC name of 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea (CID 113045369) is 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea is O=C(Nc1ccc(N2CCCCCC2)nn1)NC1CCCCC1.
What is the InChIKey of 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea?
The InChIKey is CLRXADLEZXIXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(18-14-8-4-3-5-9-14)19-15-10-11-16(21-20-15)22-12-6-1-2-7-13-22/h10-11,14H,1-9,12-13H2,(H2,18,19,20,23).
What are the key properties of 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea?
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea has a molecular weight of 317.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea is sourced from PubChem (CID 113045369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).