2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one

C7H8F3N3O — CID 164645064

IUPAC2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESNCCn1ncc(C(F)(F)F)cc1=O
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-3-6(14)13(2-1-11)12-4-5/h3-4H,1-2,11H2
InChIKeyRQEUKAJYHYJVLV-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.22
Rot. Bonds2

About 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one

2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 164645064) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one
PubChem CID164645064
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one
SMILESNCCn1ncc(C(F)(F)F)cc1=O
InChIInChI=1S/C7H8F3N3O/c8-7(9,10)5-3-6(14)13(2-1-11)12-4-5/h3-4H,1-2,11H2
InChIKeyRQEUKAJYHYJVLV-UHFFFAOYSA-N
XLogP0.22
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one;ethane
CID 169135440
2-(2-Aminoethyl)-5-methylpyridazin-3-one
CID 106548334
2-(2-Aminopropyl)-5-methylpyridazin-3-one
CID 106548500
2-[(2S)-2-aminopropyl]-5-methylpyridazin-3-one
CID 106548512
5-Methyl-2-[2-(propylamino)ethyl]pyridazin-3-one
CID 106548525

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one (CID 164645064) is 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one is NCCn1ncc(C(F)(F)F)cc1=O.
What is the InChIKey of 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is RQEUKAJYHYJVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c8-7(9,10)5-3-6(14)13(2-1-11)12-4-5/h3-4H,1-2,11H2.
What are the key properties of 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one?
2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 207.16 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 164645064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).