4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one

C14H22BrN3O2 — CID 107153488

IUPAC4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one
SMILESCC(C)CC(O)CNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C14H22BrN3O2/c1-9(2)5-11(19)6-16-12-7-17-18(8-10-3-4-10)14(20)13(12)15/h7,9-11,16,19H,3-6,8H2,1-2H3
InChIKeyDKLBZKJUJNHDSJ-UHFFFAOYSA-N
MW344.25 g/mol
LogP2.23
Rot. Bonds7

About 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one

4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one (PubChem CID 107153488) has the molecular formula C14H22BrN3O2 and a molecular weight of 344.25 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one
PubChem CID107153488
Molecular FormulaC14H22BrN3O2
Molecular Weight344.25 g/mol
Exact Mass343.09
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one
SMILESCC(C)CC(O)CNc1cnn(CC2CC2)c(=O)c1Br
InChIInChI=1S/C14H22BrN3O2/c1-9(2)5-11(19)6-16-12-7-17-18(8-10-3-4-10)14(20)13(12)15/h7,9-11,16,19H,3-6,8H2,1-2H3
InChIKeyDKLBZKJUJNHDSJ-UHFFFAOYSA-N
XLogP2.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.25
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one (CID 107153488) is 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one is CC(C)CC(O)CNc1cnn(CC2CC2)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one?
The InChIKey is DKLBZKJUJNHDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3O2/c1-9(2)5-11(19)6-16-12-7-17-18(8-10-3-4-10)14(20)13(12)15/h7,9-11,16,19H,3-6,8H2,1-2H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one has a molecular weight of 344.25 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-[(2-hydroxy-4-methylpentyl)amino]pyridazin-3-one is sourced from PubChem (CID 107153488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).