2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one

C8H10F3N3O — CID 103366576

IUPAC2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one
SMILESNCC(Cn1ncccc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(4-12)5-14-7(15)2-1-3-13-14/h1-3,6H,4-5,12H2
InChIKeyHBBVVFATUWAVFZ-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.38
Rot. Bonds3

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

2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one (PubChem CID 103366576) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one
PubChem CID103366576
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one
SMILESNCC(Cn1ncccc1=O)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)6(4-12)5-14-7(15)2-1-3-13-14/h1-3,6H,4-5,12H2
InChIKeyHBBVVFATUWAVFZ-UHFFFAOYSA-N
XLogP0.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,4,4-Trifluorobutyl)pyridazin-3-one
CID 144132334
2-(3-Amino-1,1,1-trifluoropropan-2-yl)pyridazin-3-one
CID 62849946
2-[2-(2,2,2-Trifluoroethylamino)ethyl]pyridazin-3-one
CID 62851211
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methylpyridazin-3-one
CID 103366579
3,3,3-Trifluoro-2-[(6-oxopyridazin-1-yl)methyl]propanenitrile
CID 103368126
3,3,3-Trifluoro-2-[(6-oxopyridazin-1-yl)methyl]propanethioamide
CID 103368928
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
2-{[1-(2,2,2-Trifluoroethyl)azetidin-3-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126857254
2-{[1-(2,2,2-Trifluoroacetyl)azetidin-3-yl]methyl}-2,3-dihydropyridazin-3-one
CID 134162343
2-(3-Aminopropyl)pyridazin-3-one
CID 33675839
2-[2-(2-Methylpropylamino)ethyl]pyridazin-3-one
CID 62849092
2-[3-(2-Methylpropylamino)propyl]pyridazin-3-one
CID 62849445

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one?
The IUPAC name of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one (CID 103366576) is 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one is NCC(Cn1ncccc1=O)C(F)(F)F.
What is the InChIKey of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one?
The InChIKey is HBBVVFATUWAVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)6(4-12)5-14-7(15)2-1-3-13-14/h1-3,6H,4-5,12H2.
What are the key properties of 2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one?
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]pyridazin-3-one has a molecular weight of 221.18 g/mol, XLogP of 0.38, 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]pyridazin-3-one is sourced from PubChem (CID 103366576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).