1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea

C21H28N4O2 — CID 13412562

IUPAC1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
SMILESO=C(NCCCCn1nc(-c2ccccc2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C21H28N4O2/c26-20-14-13-19(17-9-3-1-4-10-17)24-25(20)16-8-7-15-22-21(27)23-18-11-5-2-6-12-18/h1,3-4,9-10,13-14,18H,2,5-8,11-12,15-16H2,(H2,22,23,27)
InChIKeyGPWQTGATASSLCH-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.32
Rot. Bonds7

About 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea

1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea (PubChem CID 13412562) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
PubChem CID13412562
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
SMILESO=C(NCCCCn1nc(-c2ccccc2)ccc1=O)NC1CCCCC1
InChIInChI=1S/C21H28N4O2/c26-20-14-13-19(17-9-3-1-4-10-17)24-25(20)16-8-7-15-22-21(27)23-18-11-5-2-6-12-18/h1,3-4,9-10,13-14,18H,2,5-8,11-12,15-16H2,(H2,22,23,27)
InChIKeyGPWQTGATASSLCH-UHFFFAOYSA-N
XLogP3.32
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]thiourea
CID 12902608
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
CID 71317801
1-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
1-cyclopentyl-3-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]urea
CID 122278186
3-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]-1,1-diphenylurea
CID 13412588
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
N-cyclohexyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885182
N-cycloheptyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885237
1-cyclohexyl-3-[2-(3-indol-1-yl-6-oxopyridazin-1-yl)ethyl]urea
CID 71805315
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 134127682
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3242957

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea (CID 13412562) is 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea is O=C(NCCCCn1nc(-c2ccccc2)ccc1=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea?
The InChIKey is GPWQTGATASSLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-20-14-13-19(17-9-3-1-4-10-17)24-25(20)16-8-7-15-22-21(27)23-18-11-5-2-6-12-18/h1,3-4,9-10,13-14,18H,2,5-8,11-12,15-16H2,(H2,22,23,27).
What are the key properties of 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea?
1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea has a molecular weight of 368.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea is sourced from PubChem (CID 13412562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).