2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one

C13H22ClN3O — CID 114432168

IUPAC2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
SMILESCCCCCNc1cnn(CCCC)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-5-7-8-15-11-10-16-17(9-6-4-2)13(18)12(11)14/h10,15H,3-9H2,1-2H3
InChIKeyAOYLQDNLQZVVBM-UHFFFAOYSA-N
MW271.79 g/mol
LogP3.30
Rot. Bonds8

About 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one

2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one (PubChem CID 114432168) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
PubChem CID114432168
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC Name2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
SMILESCCCCCNc1cnn(CCCC)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O/c1-3-5-7-8-15-11-10-16-17(9-6-4-2)13(18)12(11)14/h10,15H,3-9H2,1-2H3
InChIKeyAOYLQDNLQZVVBM-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609
2-butyl-4-chloro-5-[(2-methyl-2-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114442319
5-[2-(benzylamino)ethylamino]-2-butyl-4-chloropyridazin-3-one
CID 15581001
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442428

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one (CID 114432168) is 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one is CCCCCNc1cnn(CCCC)c(=O)c1Cl.
What is the InChIKey of 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one?
The InChIKey is AOYLQDNLQZVVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O/c1-3-5-7-8-15-11-10-16-17(9-6-4-2)13(18)12(11)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one?
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one has a molecular weight of 271.79 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one is sourced from PubChem (CID 114432168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).