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

C17H25F3N6O2 — CID 178007918

IUPACethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CC1C(O)C(O)CCN1c1cccnn1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H15N3O2.C5H4F3N3.C2H6/c1-7-10(15)8(14)4-6-13(7)9-3-2-5-11-12-9;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h2-3,5,7-8,10,14-15H,4,6H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyQUXLAXLSENHAGM-UHFFFAOYSA-N
MW402.42 g/mol
LogP1.90
Rot. Bonds1

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

ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 178007918) has the molecular formula C17H25F3N6O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Nameethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID178007918
Molecular FormulaC17H25F3N6O2
Molecular Weight402.42 g/mol
Exact Mass402.20
IUPAC Nameethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CC1C(O)C(O)CCN1c1cccnn1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C10H15N3O2.C5H4F3N3.C2H6/c1-7-10(15)8(14)4-6-13(7)9-3-2-5-11-12-9;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h2-3,5,7-8,10,14-15H,4,6H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyQUXLAXLSENHAGM-UHFFFAOYSA-N
XLogP1.90
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(3aS,7S,7aR)-2,2-dimethyl-5-pyridazin-3-yl-N-[6-(trifluoromethyl)pyrazin-2-yl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridin-7-amine
CID 171556810
(2R,3R,4R,5S)-2-[(pyridazin-4-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171556945
1-Pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171557146
(2R,3R,4R,5S)-2-[(pyridazin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171557216
(3S,4R,5S)-1-[6-[4-(hydroxymethyl)piperidin-1-yl]pyridazin-3-yl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557249
(2R,3R,4R)-2-[(pyridazin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 171557497
(3S,4R,5S)-1-pyridazin-3-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557920
2-[(Pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171558364
1-[6-[4-(Hydroxymethyl)piperidin-1-yl]pyridazin-3-yl]piperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 177015752
(3S,4R,5S)-1-[4-(2-methylpropyl)pyridazin-3-yl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 178007940
2-Ethyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178008096
6-Propan-2-yl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178008570

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 178007918) is ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC.CC1C(O)C(O)CCN1c1cccnn1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is QUXLAXLSENHAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.C5H4F3N3.C2H6/c1-7-10(15)8(14)4-6-13(7)9-3-2-5-11-12-9;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h2-3,5,7-8,10,14-15H,4,6H2,1H3;1-2H,(H2,9,11);1-2H3.
What are the key properties of ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 402.42 g/mol, XLogP of 1.90, 1 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 178007918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).