5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one

C12H18ClN3O2 — CID 78986836

IUPAC5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCOC2CCCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O2/c13-11-10(8-15-16-12(11)17)14-6-7-18-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,14,16,17)
InChIKeyQRVUKHPNDHASFP-UHFFFAOYSA-N
MW271.75 g/mol
LogP2.18
Rot. Bonds5

About 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one

5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one (PubChem CID 78986836) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one
PubChem CID78986836
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one
SMILESO=c1[nH]ncc(NCCOC2CCCCC2)c1Cl
InChIInChI=1S/C12H18ClN3O2/c13-11-10(8-15-16-12(11)17)14-6-7-18-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,14,16,17)
InChIKeyQRVUKHPNDHASFP-UHFFFAOYSA-N
XLogP2.18
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one (CID 78986836) is 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one is O=c1[nH]ncc(NCCOC2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one?
The InChIKey is QRVUKHPNDHASFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c13-11-10(8-15-16-12(11)17)14-6-7-18-9-4-2-1-3-5-9/h8-9H,1-7H2,(H2,14,16,17).
What are the key properties of 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one?
5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one has a molecular weight of 271.75 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclohexyloxyethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 78986836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).