4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one

C10H16ClN3O2 — CID 106842538

IUPAC4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one
SMILESCCn1ncc(NCCCCO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-2-14-10(16)9(11)8(7-13-14)12-5-3-4-6-15/h7,12,15H,2-6H2,1H3
InChIKeyVBBZDBVOCPGRIB-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.10
Rot. Bonds6

About 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one

4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one (PubChem CID 106842538) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one
PubChem CID106842538
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one
SMILESCCn1ncc(NCCCCO)c(Cl)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-2-14-10(16)9(11)8(7-13-14)12-5-3-4-6-15/h7,12,15H,2-6H2,1H3
InChIKeyVBBZDBVOCPGRIB-UHFFFAOYSA-N
XLogP1.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one (CID 106842538) is 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one is CCn1ncc(NCCCCO)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one?
The InChIKey is VBBZDBVOCPGRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-2-14-10(16)9(11)8(7-13-14)12-5-3-4-6-15/h7,12,15H,2-6H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one?
4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one has a molecular weight of 245.71 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one is sourced from PubChem (CID 106842538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).