5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one

C10H17ClN4O — CID 114444669

IUPAC5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(C)CCN)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O/c1-3-5-15-10(16)9(11)8(7-13-15)14(2)6-4-12/h7H,3-6,12H2,1-2H3
InChIKeyLEBIBFKLBPINSO-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.70
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one

5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one (PubChem CID 114444669) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
PubChem CID114444669
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(N(C)CCN)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O/c1-3-5-15-10(16)9(11)8(7-13-15)14(2)6-4-12/h7H,3-6,12H2,1-2H3
InChIKeyLEBIBFKLBPINSO-UHFFFAOYSA-N
XLogP0.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[2-aminoethyl(methyl)amino]-4-chloro-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

Related Compounds

5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114444670
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl-[2-(methylamino)ethyl]amino]pyridazin-3-one
CID 114445523
methyl 2-[4-[3-aminopropyl(methyl)amino]-5-chloro-6-oxopyridazin-1-yl]acetate
CID 114447027
5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114446229
5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444666
5-[azetidin-3-yl(propyl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446030
5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114447043
4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
CID 114439887
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
CID 114445120
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446630

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one (CID 114444669) is 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one is CCCn1ncc(N(C)CCN)c(Cl)c1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one?
The InChIKey is LEBIBFKLBPINSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-3-5-15-10(16)9(11)8(7-13-15)14(2)6-4-12/h7H,3-6,12H2,1-2H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one has a molecular weight of 244.73 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one is sourced from PubChem (CID 114444669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).