5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one

C9H15ClN4O2 — CID 114445572

IUPAC5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(O)C(N)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O2/c1-5(15)6(11)3-12-7-4-13-14(2)9(16)8(7)10/h4-6,12,15H,3,11H2,1-2H3
InChIKeyPUGNJEYNIOYGIY-UHFFFAOYSA-N
MW246.70 g/mol
LogP-0.45
Rot. Bonds4

About 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one

5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one (PubChem CID 114445572) has the molecular formula C9H15ClN4O2 and a molecular weight of 246.70 g/mol. Its IUPAC name is 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
PubChem CID114445572
Molecular FormulaC9H15ClN4O2
Molecular Weight246.70 g/mol
Exact Mass246.09
IUPAC Name5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
SMILESCC(O)C(N)CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C9H15ClN4O2/c1-5(15)6(11)3-12-7-4-13-14(2)9(16)8(7)10/h4-6,12,15H,3,11H2,1-2H3
InChIKeyPUGNJEYNIOYGIY-UHFFFAOYSA-N
XLogP-0.45
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.70
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[(2-amino-3-hydroxybutyl)amino]-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

5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114445574
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-[2-(4-chlorophenyl)butylamino]-2-methylpyridazin-3-one
CID 133375230
4-chloro-5-[[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]amino]-2-methylpyridazin-3-one
CID 133307842
4-chloro-5-[[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]amino]-2-methylpyridazin-3-one
CID 95223262
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one
CID 113368835
5-[(1-amino-2,3-dimethylbutan-2-yl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114446864
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one?
The IUPAC name of 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one (CID 114445572) is 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one?
The canonical SMILES for 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one is CC(O)C(N)CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one?
The InChIKey is PUGNJEYNIOYGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2/c1-5(15)6(11)3-12-7-4-13-14(2)9(16)8(7)10/h4-6,12,15H,3,11H2,1-2H3.
What are the key properties of 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one?
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one has a molecular weight of 246.70 g/mol, XLogP of -0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one is sourced from PubChem (CID 114445572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).