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

C10H16ClN3O3 — CID 103875740

IUPAC4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
SMILESCOCC(O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14-10(16)9(11)8(5-13-14)12-4-3-7(15)6-17-2/h5,7,12,15H,3-4,6H2,1-2H3
InChIKeyRSWREERVXIPMFJ-UHFFFAOYSA-N
MW261.71 g/mol
LogP0.24
Rot. Bonds6

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

4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one (PubChem CID 103875740) has the molecular formula C10H16ClN3O3 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
PubChem CID103875740
Molecular FormulaC10H16ClN3O3
Molecular Weight261.71 g/mol
Exact Mass261.09
IUPAC Name4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
SMILESCOCC(O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H16ClN3O3/c1-14-10(16)9(11)8(5-13-14)12-4-3-7(15)6-17-2/h5,7,12,15H,3-4,6H2,1-2H3
InChIKeyRSWREERVXIPMFJ-UHFFFAOYSA-N
XLogP0.24
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424
4-chloro-5-(2,3-dimethoxypropylamino)-2-methylpyridazin-3-one
CID 113368835
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
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-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one (CID 103875740) is 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one is COCC(O)CCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one?
The InChIKey is RSWREERVXIPMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3/c1-14-10(16)9(11)8(5-13-14)12-4-3-7(15)6-17-2/h5,7,12,15H,3-4,6H2,1-2H3.
What are the key properties of 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one has a molecular weight of 261.71 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 103875740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).