6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine

C15H18ClN3O — CID 6453959

IUPAC6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine
SMILESC1CCNCC1.O=c1cc(Cl)[nH]nc1-c1ccccc1
InChIInChI=1S/C10H7ClN2O.C5H11N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,12,14);6H,1-5H2
InChIKeyRREVNSXCHVPJOH-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.85
Rot. Bonds1

About 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine

6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine (PubChem CID 6453959) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine.

Molecular Properties

Compound Name6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine
PubChem CID6453959
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine
SMILESC1CCNCC1.O=c1cc(Cl)[nH]nc1-c1ccccc1
InChIInChI=1S/C10H7ClN2O.C5H11N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,12,14);6H,1-5H2
InChIKeyRREVNSXCHVPJOH-UHFFFAOYSA-N
XLogP2.85
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine?
The IUPAC name of 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine (CID 6453959) is 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine.
What is the SMILES notation for 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine?
The canonical SMILES for 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine is C1CCNCC1.O=c1cc(Cl)[nH]nc1-c1ccccc1.
What is the InChIKey of 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine?
The InChIKey is RREVNSXCHVPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O.C5H11N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,12,14);6H,1-5H2.
What are the key properties of 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine?
6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine has a molecular weight of 291.78 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-phenyl-1H-pyridazin-4-one;piperidine is sourced from PubChem (CID 6453959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).