4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one

C10H16BrN3O2 — CID 114432726

IUPAC4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCCO)c(Br)c1=O
InChIInChI=1S/C10H16BrN3O2/c1-2-5-14-10(16)9(11)8(7-13-14)12-4-3-6-15/h7,12,15H,2-6H2,1H3
InChIKeyWPZVWRLXHBJTAT-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.21
Rot. Bonds6

About 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one

4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one (PubChem CID 114432726) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one
PubChem CID114432726
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCCO)c(Br)c1=O
InChIInChI=1S/C10H16BrN3O2/c1-2-5-14-10(16)9(11)8(7-13-14)12-4-3-6-15/h7,12,15H,2-6H2,1H3
InChIKeyWPZVWRLXHBJTAT-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one (CID 114432726) is 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCCCO)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one?
The InChIKey is WPZVWRLXHBJTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-2-5-14-10(16)9(11)8(7-13-14)12-4-3-6-15/h7,12,15H,2-6H2,1H3.
What are the key properties of 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one?
4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one has a molecular weight of 290.16 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(3-hydroxypropylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114432726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).