2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one

C9H12F3N3O — CID 106548347

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C9H12F3N3O/c1-6-2-8(16)15(14-4-6)5-7(3-13)9(10,11)12/h2,4,7H,3,5,13H2,1H3
InChIKeyAXAZKMPIRGKKCS-UHFFFAOYSA-N
MW235.21 g/mol
LogP0.69
Rot. Bonds3

About 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one (PubChem CID 106548347) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
PubChem CID106548347
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
SMILESCc1cnn(CC(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C9H12F3N3O/c1-6-2-8(16)15(14-4-6)5-7(3-13)9(10,11)12/h2,4,7H,3,5,13H2,1H3
InChIKeyAXAZKMPIRGKKCS-UHFFFAOYSA-N
XLogP0.69
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one
CID 103366576
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
CID 103366653
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103366657
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
CID 103366658
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103366659
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 106548687
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanethioamide
CID 106548702
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(3-Fluoropropyl)-5-methylpyridazin-3-one
CID 126996145
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one (CID 106548347) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one is Cc1cnn(CC(CN)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one?
The InChIKey is AXAZKMPIRGKKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-6-2-8(16)15(14-4-6)5-7(3-13)9(10,11)12/h2,4,7H,3,5,13H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one has a molecular weight of 235.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).