4-chloro-5-hydroxy-2-pentylpyridazin-3-one

C9H13ClN2O2 — CID 54683702

IUPAC4-chloro-5-hydroxy-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C9H13ClN2O2/c1-2-3-4-5-12-9(14)8(10)7(13)6-11-12/h6,13H,2-5H2,1H3
InChIKeyIHMQSANKLOVBGN-UHFFFAOYSA-N
MW216.67 g/mol
LogP1.79
Rot. Bonds4

About 4-chloro-5-hydroxy-2-pentylpyridazin-3-one

4-chloro-5-hydroxy-2-pentylpyridazin-3-one (PubChem CID 54683702) has the molecular formula C9H13ClN2O2 and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2-pentylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2-pentylpyridazin-3-one
PubChem CID54683702
Molecular FormulaC9H13ClN2O2
Molecular Weight216.67 g/mol
Exact Mass216.07
IUPAC Name4-chloro-5-hydroxy-2-pentylpyridazin-3-one
SMILESCCCCCn1ncc(O)c(Cl)c1=O
InChIInChI=1S/C9H13ClN2O2/c1-2-3-4-5-12-9(14)8(10)7(13)6-11-12/h6,13H,2-5H2,1H3
InChIKeyIHMQSANKLOVBGN-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5-hydroxy-2-pentylpyridazin-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

2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-5-imidazol-1-yl-2-pentylpyridazin-3-one
CID 69188393
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
CID 114433679
2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
CID 106287447
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2-pentylpyridazin-3-one?
The IUPAC name of 4-chloro-5-hydroxy-2-pentylpyridazin-3-one (CID 54683702) is 4-chloro-5-hydroxy-2-pentylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-hydroxy-2-pentylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-hydroxy-2-pentylpyridazin-3-one is CCCCCn1ncc(O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-hydroxy-2-pentylpyridazin-3-one?
The InChIKey is IHMQSANKLOVBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O2/c1-2-3-4-5-12-9(14)8(10)7(13)6-11-12/h6,13H,2-5H2,1H3.
What are the key properties of 4-chloro-5-hydroxy-2-pentylpyridazin-3-one?
4-chloro-5-hydroxy-2-pentylpyridazin-3-one has a molecular weight of 216.67 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2-pentylpyridazin-3-one is sourced from PubChem (CID 54683702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).