4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one

C8H13ClN4O — CID 127006864

IUPAC4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one
SMILESCC(CN)N(C)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C8H13ClN4O/c1-5(3-10)13(2)6-4-11-12-8(14)7(6)9/h4-5H,3,10H2,1-2H3,(H,12,14)
InChIKeyJRLGHQOGPRZQAU-UHFFFAOYSA-N
MW216.67 g/mol
LogP0.21
Rot. Bonds3

About 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one

4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one (PubChem CID 127006864) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one
PubChem CID127006864
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one
SMILESCC(CN)N(C)c1cn[nH]c(=O)c1Cl
InChIInChI=1S/C8H13ClN4O/c1-5(3-10)13(2)6-4-11-12-8(14)7(6)9/h4-5H,3,10H2,1-2H3,(H,12,14)
InChIKeyJRLGHQOGPRZQAU-UHFFFAOYSA-N
XLogP0.21
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-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-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one?
The IUPAC name of 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one (CID 127006864) is 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one.
What is the SMILES notation for 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one?
The canonical SMILES for 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one is CC(CN)N(C)c1cn[nH]c(=O)c1Cl.
What is the InChIKey of 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one?
The InChIKey is JRLGHQOGPRZQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5(3-10)13(2)6-4-11-12-8(14)7(6)9/h4-5H,3,10H2,1-2H3,(H,12,14).
What are the key properties of 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one?
4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one has a molecular weight of 216.67 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-aminopropan-2-yl(methyl)amino]-5-chloro-1H-pyridazin-6-one is sourced from PubChem (CID 127006864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).