1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea

C21H30N6O — CID 113049683

IUPAC1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C21H30N6O/c1-3-27(4-2)18-12-10-17(11-13-18)22-19-14-15-20(26-25-19)24-21(28)23-16-8-6-5-7-9-16/h10-16H,3-9H2,1-2H3,(H,22,25)(H2,23,24,26,28)
InChIKeyWYJAFMIPQCMCBI-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.52
Rot. Bonds7

About 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea

1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea (PubChem CID 113049683) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
PubChem CID113049683
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1
InChIInChI=1S/C21H30N6O/c1-3-27(4-2)18-12-10-17(11-13-18)22-19-14-15-20(26-25-19)24-21(28)23-16-8-6-5-7-9-16/h10-16H,3-9H2,1-2H3,(H,22,25)(H2,23,24,26,28)
InChIKeyWYJAFMIPQCMCBI-UHFFFAOYSA-N
XLogP4.52
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
1-cyclohexyl-3-[6-(4-methoxyanilino)pyridazin-3-yl]urea
CID 113048333
N-cyclopropyl-6-[4-(diethylamino)anilino]pyridazine-3-carboxamide
CID 109110139
1-[6-(4-chloroanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113047575
1-[6-(4-bromoanilino)pyridazin-3-yl]-3-cyclopropylurea
CID 113048047
1-[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047848
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
1-[6-(3-chloroanilino)pyridazin-3-yl]-3-cyclohexylurea
CID 113047482
1-N-cyclopentyl-4-N-[4-(diethylamino)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145889
N-cyclohexyl-4-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109204867
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea (CID 113049683) is 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea is CCN(CC)c1ccc(Nc2ccc(NC(=O)NC3CCCCC3)nn2)cc1.
What is the InChIKey of 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea?
The InChIKey is WYJAFMIPQCMCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-3-27(4-2)18-12-10-17(11-13-18)22-19-14-15-20(26-25-19)24-21(28)23-16-8-6-5-7-9-16/h10-16H,3-9H2,1-2H3,(H,22,25)(H2,23,24,26,28).
What are the key properties of 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea?
1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea has a molecular weight of 382.51 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-[4-(diethylamino)anilino]pyridazin-3-yl]urea is sourced from PubChem (CID 113049683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).