1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea

C21H28N6O2 — CID 113049830

IUPAC1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)nn1)NC1CCCCC1
InChIInChI=1S/C21H28N6O2/c28-21(22-16-6-2-1-3-7-16)24-20-11-10-19(25-26-20)23-17-8-4-5-9-18(17)27-12-14-29-15-13-27/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,23,25)(H2,22,24,26,28)
InChIKeySJWYFLRIFPSZJA-UHFFFAOYSA-N
MW396.50 g/mol
LogP3.51
Rot. Bonds5

About 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea

1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea (PubChem CID 113049830) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
PubChem CID113049830
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
SMILESO=C(Nc1ccc(Nc2ccccc2N2CCOCC2)nn1)NC1CCCCC1
InChIInChI=1S/C21H28N6O2/c28-21(22-16-6-2-1-3-7-16)24-20-11-10-19(25-26-20)23-17-8-4-5-9-18(17)27-12-14-29-15-13-27/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,23,25)(H2,22,24,26,28)
InChIKeySJWYFLRIFPSZJA-UHFFFAOYSA-N
XLogP3.51
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-6-(2-morpholin-4-ylanilino)pyridazine-3-carboxamide
CID 109112411
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
2-ethyl-N-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]butanamide
CID 113049816
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369
N-cycloheptyl-3-(2-morpholin-4-ylanilino)propanamide
CID 109031514
N-cyclohexyl-2-morpholin-4-ylaniline
CID 43717230
benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 2813234
2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112885027
N-[4-(2-morpholin-4-ylanilino)phenyl]cyclohexanecarboxamide
CID 112988829
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109250604
N-methyl-6-(2-morpholin-4-ylanilino)-N-phenylpyridazine-3-carboxamide
CID 109127275

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea (CID 113049830) is 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea is O=C(Nc1ccc(Nc2ccccc2N2CCOCC2)nn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea?
The InChIKey is SJWYFLRIFPSZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c28-21(22-16-6-2-1-3-7-16)24-20-11-10-19(25-26-20)23-17-8-4-5-9-18(17)27-12-14-29-15-13-27/h4-5,8-11,16H,1-3,6-7,12-15H2,(H,23,25)(H2,22,24,26,28).
What are the key properties of 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea?
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea has a molecular weight of 396.50 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea is sourced from PubChem (CID 113049830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).