1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea

C17H26N6O2 — CID 154736160

IUPAC1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCC(=O)N1CCN(c2cccnn2)CC1)NC1CCCCC1
InChIInChI=1S/C17H26N6O2/c24-16(13-18-17(25)20-14-5-2-1-3-6-14)23-11-9-22(10-12-23)15-7-4-8-19-21-15/h4,7-8,14H,1-3,5-6,9-13H2,(H2,18,20,25)
InChIKeyRZZPTYBEBRMVLR-UHFFFAOYSA-N
MW346.44 g/mol
LogP0.76
Rot. Bonds4

About 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea

1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea (PubChem CID 154736160) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
PubChem CID154736160
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
SMILESO=C(NCC(=O)N1CCN(c2cccnn2)CC1)NC1CCCCC1
InChIInChI=1S/C17H26N6O2/c24-16(13-18-17(25)20-14-5-2-1-3-6-14)23-11-9-22(10-12-23)15-7-4-8-19-21-15/h4,7-8,14H,1-3,5-6,9-13H2,(H2,18,20,25)
InChIKeyRZZPTYBEBRMVLR-UHFFFAOYSA-N
XLogP0.76
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
N-(1-methylpiperidin-4-yl)-4-pyridazin-3-ylpiperazine-1-carboxamide
CID 126771166
1-cyclobutyl-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 84515833
1-cyclohexyl-3-[2-(4-formylpiperazin-1-yl)-2-oxoethyl]urea
CID 112991840
1-cyclohexyl-3-(2-morpholin-4-yl-2-oxoethyl)urea
CID 47277900
1-(4-pyridazin-3-ylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119873688
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one
CID 126769163
1-[2-(cyclohexylcarbamoylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 119354365
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-[4-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-4-oxobutyl]-3-cyclohexylurea
CID 55513437
N-[(1-methylimidazol-2-yl)methyl]-1-pyridazin-3-ylpiperidine-4-carboxamide
CID 110090149

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea (CID 154736160) is 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea is O=C(NCC(=O)N1CCN(c2cccnn2)CC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea?
The InChIKey is RZZPTYBEBRMVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2/c24-16(13-18-17(25)20-14-5-2-1-3-6-14)23-11-9-22(10-12-23)15-7-4-8-19-21-15/h4,7-8,14H,1-3,5-6,9-13H2,(H2,18,20,25).
What are the key properties of 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea?
1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea has a molecular weight of 346.44 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea is sourced from PubChem (CID 154736160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).