2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one

C10H16ClN3O — CID 114394227

IUPAC2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCC(CCl)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H16ClN3O/c1-8(5-11)7-14-10(15)4-9(6-12-14)13(2)3/h4,6,8H,5,7H2,1-3H3
InChIKeyXDCNLOGSYHJRFA-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.18
Rot. Bonds4

About 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one

2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one (PubChem CID 114394227) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
PubChem CID114394227
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC Name2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
SMILESCC(CCl)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H16ClN3O/c1-8(5-11)7-14-10(15)4-9(6-12-14)13(2)3/h4,6,8H,5,7H2,1-3H3
InChIKeyXDCNLOGSYHJRFA-UHFFFAOYSA-N
XLogP1.18
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
CID 107506433
2-[2-amino-2-(3,4-dimethylphenyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114394568

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one (CID 114394227) is 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one is CC(CCl)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one?
The InChIKey is XDCNLOGSYHJRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-8(5-11)7-14-10(15)4-9(6-12-14)13(2)3/h4,6,8H,5,7H2,1-3H3.
What are the key properties of 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one?
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one has a molecular weight of 229.71 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 114394227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).