1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea

C21H29N5O — CID 113044481

IUPAC1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C21H29N5O/c1-16(2)26(15-17-9-5-3-6-10-17)20-14-13-19(24-25-20)23-21(27)22-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H2,22,23,24,27)
InChIKeyXKFMHNKPLWZMPL-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.35
Rot. Bonds6

About 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea

1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea (PubChem CID 113044481) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
PubChem CID113044481
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea
SMILESCC(C)N(Cc1ccccc1)c1ccc(NC(=O)NC2CCCCC2)nn1
InChIInChI=1S/C21H29N5O/c1-16(2)26(15-17-9-5-3-6-10-17)20-14-13-19(24-25-20)23-21(27)22-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H2,22,23,24,27)
InChIKeyXKFMHNKPLWZMPL-UHFFFAOYSA-N
XLogP4.35
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]butanamide
CID 113044450
N-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113044456
1-cyclohexyl-3-[6-(1-phenylethylamino)pyridazin-3-yl]urea
CID 113041212
1-[4-[benzyl(propan-2-yl)amino]phenyl]-3-cyclopropylurea
CID 112985056
4-N-benzyl-6-N-cyclohexyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112856249
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
1-cyclopropyl-3-[6-(dipropylamino)pyridazin-3-yl]urea
CID 113045192
4-N-benzyl-6-N-cyclopentyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 112855887
1-[5-(benzylamino)-2-pyridinyl]-3-cyclohexylurea
CID 113026418
2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322163
N-benzyl-6-[benzyl(propan-2-yl)amino]pyridazine-3-carboxamide
CID 109117885
1-cyclohexyl-3-[5-(1-phenylethylamino)-2-pyridinyl]urea
CID 113026834

Frequently Asked Questions

What is the IUPAC name of 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea?
The IUPAC name of 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea (CID 113044481) is 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea is CC(C)N(Cc1ccccc1)c1ccc(NC(=O)NC2CCCCC2)nn1.
What is the InChIKey of 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea?
The InChIKey is XKFMHNKPLWZMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-16(2)26(15-17-9-5-3-6-10-17)20-14-13-19(24-25-20)23-21(27)22-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H2,22,23,24,27).
What are the key properties of 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea?
1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea has a molecular weight of 367.50 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-3-cyclohexylurea is sourced from PubChem (CID 113044481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).