5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one

C8H12ClN3O2 — CID 10376068

IUPAC5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c9-7-6(10)5-11-12(8(7)14)3-1-2-4-13/h5,13H,1-4,10H2
InChIKeyKSIAIAWQGZIGES-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.25
Rot. Bonds4

About 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one

5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one (PubChem CID 10376068) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one
PubChem CID10376068
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Name5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one
SMILESNc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C8H12ClN3O2/c9-7-6(10)5-11-12(8(7)14)3-1-2-4-13/h5,13H,1-4,10H2
InChIKeyKSIAIAWQGZIGES-UHFFFAOYSA-N
XLogP0.25
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-5-(4-hydroxypentylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 106136735
2-Butyl-4-chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]pyridazin-3-one
CID 106177977
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 106178004
4-Chloro-5-(4-hydroxybutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 106842498
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-propylpyridazin-3-one
CID 114154386
4-Chloro-5-[(2,2-difluoro-3-hydroxypropyl)amino]-2-ethylpyridazin-3-one
CID 114154399
4-Chloro-5-(3-hydroxypropylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114432720
4-Chloro-5-[(4-hydroxy-2-methylbutyl)amino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114439768
4-Chloro-5-(5-hydroxypentan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114440286
4-Chloro-2-(2-hydroxyethyl)-5-(4,4,4-trifluorobutylamino)pyridazin-3-one
CID 114440830
4-Chloro-5-(4-hydroxybutan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114441245
4-chloro-5-(3-hydroxypropylamino)-2-t-butyl-3(2H) pyridazinone
CID 13987664

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one?
The IUPAC name of 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one (CID 10376068) is 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one.
What is the SMILES notation for 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one?
The canonical SMILES for 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one is Nc1cnn(CCCCO)c(=O)c1Cl.
What is the InChIKey of 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one?
The InChIKey is KSIAIAWQGZIGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O2/c9-7-6(10)5-11-12(8(7)14)3-1-2-4-13/h5,13H,1-4,10H2.
What are the key properties of 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one?
5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one has a molecular weight of 217.66 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one is sourced from PubChem (CID 10376068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).