5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one

C11H19ClN4O — CID 114444467

IUPAC5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
SMILESCCCCn1ncc(NCCCN)c(Cl)c1=O
InChIInChI=1S/C11H19ClN4O/c1-2-3-7-16-11(17)10(12)9(8-15-16)14-6-4-5-13/h8,14H,2-7,13H2,1H3
InChIKeyAESFVPVFRSTSQK-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.46
Rot. Bonds7

About 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one

5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one (PubChem CID 114444467) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one.

Molecular Properties

Compound Name5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
PubChem CID114444467
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
SMILESCCCCn1ncc(NCCCN)c(Cl)c1=O
InChIInChI=1S/C11H19ClN4O/c1-2-3-7-16-11(17)10(12)9(8-15-16)14-6-4-5-13/h8,14H,2-7,13H2,1H3
InChIKeyAESFVPVFRSTSQK-UHFFFAOYSA-N
XLogP1.46
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.46
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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Related Compounds

2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
5-[2-(benzylamino)ethylamino]-2-butyl-4-chloropyridazin-3-one
CID 15581001
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-[(1-amino-2,3-dimethylbutan-2-yl)amino]-2-butyl-4-chloropyridazin-3-one
CID 114446870
5-(2-aminoethylamino)-4-bromo-2-butylpyridazin-3-one
CID 114444079

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one?
The IUPAC name of 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one (CID 114444467) is 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one.
What is the SMILES notation for 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one?
The canonical SMILES for 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one is CCCCn1ncc(NCCCN)c(Cl)c1=O.
What is the InChIKey of 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one?
The InChIKey is AESFVPVFRSTSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-2-3-7-16-11(17)10(12)9(8-15-16)14-6-4-5-13/h8,14H,2-7,13H2,1H3.
What are the key properties of 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one?
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one has a molecular weight of 258.75 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one is sourced from PubChem (CID 114444467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).