4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one

C13H22ClN3O2 — CID 114436918

IUPAC4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCCCC(C)Nc1cnn(CCOC)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-4-5-6-10(2)16-11-9-15-17(7-8-19-3)13(18)12(11)14/h9-10,16H,4-8H2,1-3H3
InChIKeySZSHHLYNOBEBTQ-UHFFFAOYSA-N
MW287.79 g/mol
LogP2.53
Rot. Bonds8

About 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114436918) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114436918
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Name4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCCCCC(C)Nc1cnn(CCOC)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O2/c1-4-5-6-10(2)16-11-9-15-17(7-8-19-3)13(18)12(11)14/h9-10,16H,4-8H2,1-3H3
InChIKeySZSHHLYNOBEBTQ-UHFFFAOYSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)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-(4-ethylsulfanylbutan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 115744738
4-chloro-5-[4-(dimethylamino)butan-2-ylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115657305
4-chloro-5-(heptan-2-ylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435383
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
2-butyl-4-chloro-5-(4-methylsulfanylbutan-2-ylamino)pyridazin-3-one
CID 114442233
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
2-butyl-4-chloro-5-(1-ethoxypropan-2-ylamino)pyridazin-3-one
CID 114436331
methyl 2-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-3-methylbutanoate
CID 114436175
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-2-[2-(dimethylamino)ethyl]-5-(pentan-2-ylamino)pyridazin-3-one
CID 114432002
2-butyl-4-chloro-5-[(4-hydroxy-1-methoxybutan-2-yl)amino]pyridazin-3-one
CID 106162048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one (CID 114436918) is 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one is CCCCC(C)Nc1cnn(CCOC)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is SZSHHLYNOBEBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O2/c1-4-5-6-10(2)16-11-9-15-17(7-8-19-3)13(18)12(11)14/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 287.79 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114436918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).