5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one

C13H21N3O — CID 103219835

IUPAC5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(C)CCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C13H21N3O/c1-13(2,3)6-7-16-12(17)8-11(9-14-16)15-10-4-5-10/h8-10,15H,4-7H2,1-3H3
InChIKeyJEDIZTMIXNKOHY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.25
Rot. Bonds4

About 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one

5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one (PubChem CID 103219835) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one
PubChem CID103219835
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one
SMILESCC(C)(C)CCn1ncc(NC2CC2)cc1=O
InChIInChI=1S/C13H21N3O/c1-13(2,3)6-7-16-12(17)8-11(9-14-16)15-10-4-5-10/h8-10,15H,4-7H2,1-3H3
InChIKeyJEDIZTMIXNKOHY-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Cyclopropylamino)-2-methylpyridazin-3-one
CID 84075865
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 103073048
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103073054
5-[Ethyl(methyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073079
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103073080
5-(Diethylamino)-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073085
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103073086
5-[Methyl(propyl)amino]-2-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyridazin-3-one
CID 103073095
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073096
5-Amino-2-(2-methylbutyl)pyridazin-3-one
CID 103218224
5-Amino-2-(3-methylbutyl)pyridazin-3-one
CID 103218247
5-Amino-2-butylpyridazin-3-one
CID 103218271

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one?
The IUPAC name of 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one (CID 103219835) is 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one.
What is the SMILES notation for 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one?
The canonical SMILES for 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one is CC(C)(C)CCn1ncc(NC2CC2)cc1=O.
What is the InChIKey of 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one?
The InChIKey is JEDIZTMIXNKOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,3)6-7-16-12(17)8-11(9-14-16)15-10-4-5-10/h8-10,15H,4-7H2,1-3H3.
What are the key properties of 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one?
5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one has a molecular weight of 235.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylamino)-2-(3,3-dimethylbutyl)pyridazin-3-one is sourced from PubChem (CID 103219835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).