1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea

C20H28N4O2 — CID 71317801

IUPAC1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
SMILESCCCNC(=O)NCCCCCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H28N4O2/c1-2-14-21-20(26)22-15-8-3-4-9-16-24-19(25)13-12-18(23-24)17-10-6-5-7-11-17/h5-7,10-13H,2-4,8-9,14-16H2,1H3,(H2,21,22,26)
InChIKeyNZHJTAMJNHNNFW-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.18
Rot. Bonds10

About 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea

1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea (PubChem CID 71317801) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea.

Molecular Properties

Compound Name1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
PubChem CID71317801
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea
SMILESCCCNC(=O)NCCCCCCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C20H28N4O2/c1-2-14-21-20(26)22-15-8-3-4-9-16-24-19(25)13-12-18(23-24)17-10-6-5-7-11-17/h5-7,10-13H,2-4,8-9,14-16H2,1H3,(H2,21,22,26)
InChIKeyNZHJTAMJNHNNFW-UHFFFAOYSA-N
XLogP3.18
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.18
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-butyl-3-[3-(6-oxo-3-phenylpyridazin-1-yl)propyl]urea
CID 71317796
3-[5-(6-oxo-3-phenylpyridazin-1-yl)pentyl]-1,1-diphenylurea
CID 13412588
2-[4-(methylamino)butyl]-6-phenylpyridazin-3-one
CID 13103478
1-cyclohexyl-3-[4-(6-oxo-3-phenylpyridazin-1-yl)butyl]urea
CID 13412562
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
1-benzyl-3-[2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]ethyl]urea
CID 42109840
3-(6-oxo-3-phenylpyridazin-1-yl)propanoic acid
CID 4086163
2-[2-[[(2R)-butan-2-yl]amino]ethyl]-6-phenylpyridazin-3-one
CID 95122748
2-(3-methyl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121033306
3,5-dimethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 18569617
2-ethyl-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyrimidine-5-carboxamide
CID 72931856
3,4-diethoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzamide
CID 41240868

Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea?
The IUPAC name of 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea (CID 71317801) is 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea.
What is the SMILES notation for 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea?
The canonical SMILES for 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea is CCCNC(=O)NCCCCCCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea?
The InChIKey is NZHJTAMJNHNNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-2-14-21-20(26)22-15-8-3-4-9-16-24-19(25)13-12-18(23-24)17-10-6-5-7-11-17/h5-7,10-13H,2-4,8-9,14-16H2,1H3,(H2,21,22,26).
What are the key properties of 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea?
1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea has a molecular weight of 356.47 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-oxo-3-phenylpyridazin-1-yl)hexyl]-3-propylurea is sourced from PubChem (CID 71317801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).