6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C17H23F3N6O2 — CID 178008570

IUPAC6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)C1CC(O)C(O)CN1c1cccnn1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C12H19N3O2.C5H4F3N3/c1-8(2)9-6-10(16)11(17)7-15(9)12-4-3-5-13-14-12;6-5(7,8)3-1-10-2-4(9)11-3/h3-5,8-11,16-17H,6-7H2,1-2H3;1-2H,(H2,9,11)
InChIKeyCCNSDNNIWJDJAM-UHFFFAOYSA-N
MW400.41 g/mol
LogP1.51
Rot. Bonds2

About 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 178008570) has the molecular formula C17H23F3N6O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID178008570
Molecular FormulaC17H23F3N6O2
Molecular Weight400.41 g/mol
Exact Mass400.18
IUPAC Name6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC(C)C1CC(O)C(O)CN1c1cccnn1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C12H19N3O2.C5H4F3N3/c1-8(2)9-6-10(16)11(17)7-15(9)12-4-3-5-13-14-12;6-5(7,8)3-1-10-2-4(9)11-3/h3-5,8-11,16-17H,6-7H2,1-2H3;1-2H,(H2,9,11)
InChIKeyCCNSDNNIWJDJAM-UHFFFAOYSA-N
XLogP1.51
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3,4-dihydroxypiperidin-1-yl)-2-methylbutan-1-one;6-(trifluoromethyl)pyrazin-2-amine
CID 178007692
2-(phenoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557854
1-(6-aminopyrazin-2-yl)-5-methylpyrrolidin-3-ol
CID 126989530
6-(2-propan-2-ylpyrrolidin-1-yl)pyridin-2-amine
CID 80652168
(1S,4S)-2-[6-(trifluoromethyl)pyrazin-2-yl]-2,5-diazabicyclo[2.2.1]heptane
CID 70813610
N'-hydroxy-2-(4-pyridazin-3-ylpiperazin-1-yl)propanimidamide
CID 77012268
6-(3,5-dimethylpiperidin-1-yl)pyrazin-2-amine
CID 78989037
(1-pyridazin-3-ylpyrrolidin-2-yl)methanol
CID 62482647
3-[3-(3-methylphenyl)-2-oxopropyl]-4-propan-2-yl-1-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-2-one
CID 159192742
(2R)-N,N-dimethyl-1-pyridazin-3-ylpyrrolidin-2-amine
CID 175192358
2-[(2-methylidenepyrrolidin-1-yl)methyl]oxan-3-ol;6-(trifluoromethyl)pyrazin-2-amine
CID 177015828
(2-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-3-yl)methanamine
CID 62592822

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 178008570) is 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC(C)C1CC(O)C(O)CN1c1cccnn1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is CCNSDNNIWJDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.C5H4F3N3/c1-8(2)9-6-10(16)11(17)7-15(9)12-4-3-5-13-14-12;6-5(7,8)3-1-10-2-4(9)11-3/h3-5,8-11,16-17H,6-7H2,1-2H3;1-2H,(H2,9,11).
What are the key properties of 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 400.41 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 178008570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).