5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one

C13H21ClN4O2 — CID 114445249

IUPAC5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NCCOC2CCC(N)CC2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-18-13(19)12(14)11(8-17-18)16-6-7-20-10-4-2-9(15)3-5-10/h8-10,16H,2-7,15H2,1H3
InChIKeySPXWPPRJRLDVRS-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.13
Rot. Bonds5

About 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one

5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 114445249) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one
PubChem CID114445249
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one
SMILESCn1ncc(NCCOC2CCC(N)CC2)c(Cl)c1=O
InChIInChI=1S/C13H21ClN4O2/c1-18-13(19)12(14)11(8-17-18)16-6-7-20-10-4-2-9(15)3-5-10/h8-10,16H,2-7,15H2,1H3
InChIKeySPXWPPRJRLDVRS-UHFFFAOYSA-N
XLogP1.13
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-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-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
6-[2-(4-aminocyclohexyl)oxyethylamino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 63871525
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
CID 114417848
4-chloro-5-[2-[cyclopropyl(ethyl)amino]ethylamino]-2-methylpyridazin-3-one
CID 113231653
4-chloro-2-methyl-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973471
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750
4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
CID 103875740
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-5-[2-(3,4-difluorophenoxy)ethylamino]-2-methylpyridazin-3-one
CID 133291718
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one (CID 114445249) is 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one is Cn1ncc(NCCOC2CCC(N)CC2)c(Cl)c1=O.
What is the InChIKey of 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is SPXWPPRJRLDVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-18-13(19)12(14)11(8-17-18)16-6-7-20-10-4-2-9(15)3-5-10/h8-10,16H,2-7,15H2,1H3.
What are the key properties of 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one?
5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 300.79 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-aminocyclohexyl)oxyethylamino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 114445249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).