2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one

C8H10F3N3O — CID 106548281

IUPAC2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
SMILESCc1cnn(C(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C8H10F3N3O/c1-5-2-7(15)14(13-4-5)6(3-12)8(9,10)11/h2,4,6H,3,12H2,1H3
InChIKeyQZLDAAUMESPWPW-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.61
Rot. Bonds2

About 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one

2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one (PubChem CID 106548281) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
PubChem CID106548281
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
SMILESCc1cnn(C(CN)C(F)(F)F)c(=O)c1
InChIInChI=1S/C8H10F3N3O/c1-5-2-7(15)14(13-4-5)6(3-12)8(9,10)11/h2,4,6H,3,12H2,1H3
InChIKeyQZLDAAUMESPWPW-UHFFFAOYSA-N
XLogP0.61
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.61
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-[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-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 113579289
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(dimethylamino)pyridazin-3-one
CID 114393489
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-(diethylamino)pyridazin-3-one
CID 114393600
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
2-(2-Aminoethyl)-5-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 164645064
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one;ethane
CID 169135440
2-(1-Amino-2-methylpropan-2-yl)-5-methylpyridazin-3-one
CID 106548285
2-(2-Aminoethyl)-5-methylpyridazin-3-one
CID 106548334

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one (CID 106548281) is 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one is Cc1cnn(C(CN)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one?
The InChIKey is QZLDAAUMESPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5-2-7(15)14(13-4-5)6(3-12)8(9,10)11/h2,4,6H,3,12H2,1H3.
What are the key properties of 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one?
2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one has a molecular weight of 221.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).