5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one

C15H25ClN4O — CID 114445903

IUPAC5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC2CCCCC2CN)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19-12-6-4-3-5-11(12)7-17/h8,10-12,19H,3-7,9,17H2,1-2H3
InChIKeyHGRRAUHAMFCYNB-UHFFFAOYSA-N
MW312.85 g/mol
LogP2.48
Rot. Bonds5

About 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one

5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114445903) has the molecular formula C15H25ClN4O and a molecular weight of 312.85 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114445903
Molecular FormulaC15H25ClN4O
Molecular Weight312.85 g/mol
Exact Mass312.17
IUPAC Name5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC2CCCCC2CN)c(Cl)c1=O
InChIInChI=1S/C15H25ClN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19-12-6-4-3-5-11(12)7-17/h8,10-12,19H,3-7,9,17H2,1-2H3
InChIKeyHGRRAUHAMFCYNB-UHFFFAOYSA-N
XLogP2.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)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

Related Compounds

4-chloro-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106362138
5-[[2-(aminomethyl)cyclopentyl]amino]-4-chloro-2-prop-2-enylpyridazin-3-one
CID 114445881
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439142
4-chloro-5-[(3-ethyl-2-methylcyclopentyl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114439163
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 114432474
5-[(2-amino-1-cyclopentylethyl)amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one
CID 106738332
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-(1-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114438468
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887
4-chloro-2-(2-hydroxyethyl)-5-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 106362266
4-chloro-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2-(2-methylpropyl)pyridazin-3-one
CID 106258520
4-chloro-2-(2-methylpropyl)-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436816

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one (CID 114445903) is 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NC2CCCCC2CN)c(Cl)c1=O.
What is the InChIKey of 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is HGRRAUHAMFCYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19-12-6-4-3-5-11(12)7-17/h8,10-12,19H,3-7,9,17H2,1-2H3.
What are the key properties of 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one?
5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 312.85 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)cyclohexyl]amino]-4-chloro-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114445903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).