4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one

C13H20ClN3O — CID 117094757

IUPAC4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(C2CCCCC2)c(=O)c1Cl
InChIInChI=1S/C13H20ClN3O/c1-2-8-15-11-9-16-17(13(18)12(11)14)10-6-4-3-5-7-10/h9-10,15H,2-8H2,1H3
InChIKeyMHQMSQLDTCHRKC-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.22
Rot. Bonds4

About 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one

4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one (PubChem CID 117094757) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one
PubChem CID117094757
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one
SMILESCCCNc1cnn(C2CCCCC2)c(=O)c1Cl
InChIInChI=1S/C13H20ClN3O/c1-2-8-15-11-9-16-17(13(18)12(11)14)10-6-4-3-5-7-10/h9-10,15H,2-8H2,1H3
InChIKeyMHQMSQLDTCHRKC-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one (CID 117094757) is 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one is CCCNc1cnn(C2CCCCC2)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one?
The InChIKey is MHQMSQLDTCHRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-8-15-11-9-16-17(13(18)12(11)14)10-6-4-3-5-7-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one?
4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one has a molecular weight of 269.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyl-5-(propylamino)pyridazin-3-one is sourced from PubChem (CID 117094757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).