1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea

C19H25N5O — CID 113041212

IUPAC1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
SMILESCC(Nc1ccc(NC(=O)NC2CCCCC2)nn1)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-14(15-8-4-2-5-9-15)20-17-12-13-18(24-23-17)22-19(25)21-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,20,23)(H2,21,22,24,25)
InChIKeyKAXYLARIAQVCBZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.10
Rot. Bonds5

About 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea

1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea (PubChem CID 113041212) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
PubChem CID113041212
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
SMILESCC(Nc1ccc(NC(=O)NC2CCCCC2)nn1)c1ccccc1
InChIInChI=1S/C19H25N5O/c1-14(15-8-4-2-5-9-15)20-17-12-13-18(24-23-17)22-19(25)21-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,20,23)(H2,21,22,24,25)
InChIKeyKAXYLARIAQVCBZ-UHFFFAOYSA-N
XLogP4.10
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]propanamide
CID 113041157
1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
CID 113044481
2-phenyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]acetamide
CID 113041186
1-[6-(cyclohexylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113039134
N-[4-[[6-(cyclohexylcarbamoylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049312
1-[6-(cyclopentylamino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113038888
N-cyclohexyl-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109182921
N-[6-(cyclopentylamino)pyridazin-3-yl]-2,2-diphenylacetamide
CID 113038844
2-methyl-N-[6-(1-phenylethylamino)pyridazin-3-yl]benzamide
CID 113041168
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea (CID 113041212) is 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea is CC(Nc1ccc(NC(=O)NC2CCCCC2)nn1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea?
The InChIKey is KAXYLARIAQVCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-14(15-8-4-2-5-9-15)20-17-12-13-18(24-23-17)22-19(25)21-16-10-6-3-7-11-16/h2,4-5,8-9,12-14,16H,3,6-7,10-11H2,1H3,(H,20,23)(H2,21,22,24,25).
What are the key properties of 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea?
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea has a molecular weight of 339.44 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea is sourced from PubChem (CID 113041212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).