4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one

C7H8F3N3O — CID 114393072

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
SMILESCN(CC(F)(F)F)c1cn[nH]c(=O)c1
InChIInChI=1S/C7H8F3N3O/c1-13(4-7(8,9)10)5-2-6(14)12-11-3-5/h2-3H,4H2,1H3,(H,12,14)
InChIKeyDVNDIRDIDFVYKR-UHFFFAOYSA-N
MW207.16 g/mol
LogP0.77
Rot. Bonds2

About 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one

4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one (PubChem CID 114393072) has the molecular formula C7H8F3N3O and a molecular weight of 207.16 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
PubChem CID114393072
Molecular FormulaC7H8F3N3O
Molecular Weight207.16 g/mol
Exact Mass207.06
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
SMILESCN(CC(F)(F)F)c1cn[nH]c(=O)c1
InChIInChI=1S/C7H8F3N3O/c1-13(4-7(8,9)10)5-2-6(14)12-11-3-5/h2-3H,4H2,1H3,(H,12,14)
InChIKeyDVNDIRDIDFVYKR-UHFFFAOYSA-N
XLogP0.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Methylamino)-2,3-dihydropyridazin-3-one
CID 21691755
5-(1-Methylhydrazinyl)pyridazin-3(2H)-one
CID 13417077
4-(prop-1-en-2-ylamino)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 175932253
4-(diethylamino)-3,5-difluoro-1H-pyridazin-6-one
CID 44221604
3,5-difluoro-4-[methyl(prop-2-enyl)amino]-1H-pyridazin-6-one
CID 44221807
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyridazin-6-one
CID 105936161
4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyridazin-6-one
CID 106219695
4-(2,2,3,3-tetrafluoropropylamino)-1H-pyridazin-6-one
CID 106294600
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyridazin-6-one
CID 107495495
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
CID 107495496
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 113579289
4-(2,2,2-trifluoroethylamino)-1H-pyridazin-6-one
CID 114391901

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one (CID 114393072) is 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one is CN(CC(F)(F)F)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
The InChIKey is DVNDIRDIDFVYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O/c1-13(4-7(8,9)10)5-2-6(14)12-11-3-5/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one?
4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one has a molecular weight of 207.16 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114393072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).