2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C15H19F3N6O3 — CID 171558364

IUPAC2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.OC1CCOC(CNc2ccnnc2)C1O
InChIInChI=1S/C10H15N3O3.C5H4F3N3/c14-8-2-4-16-9(10(8)15)6-11-7-1-3-12-13-5-7;6-5(7,8)3-1-10-2-4(9)11-3/h1,3,5,8-10,14-15H,2,4,6H2,(H,11,12);1-2H,(H2,9,11)
InChIKeyHHTMVPQZSWYLOU-UHFFFAOYSA-N
MW388.35 g/mol
LogP0.48
Rot. Bonds3

About 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171558364) has the molecular formula C15H19F3N6O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171558364
Molecular FormulaC15H19F3N6O3
Molecular Weight388.35 g/mol
Exact Mass388.15
IUPAC Name2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESNc1cncc(C(F)(F)F)n1.OC1CCOC(CNc2ccnnc2)C1O
InChIInChI=1S/C10H15N3O3.C5H4F3N3/c14-8-2-4-16-9(10(8)15)6-11-7-1-3-12-13-5-7;6-5(7,8)3-1-10-2-4(9)11-3/h1,3,5,8-10,14-15H,2,4,6H2,(H,11,12);1-2H,(H2,9,11)
InChIKeyHHTMVPQZSWYLOU-UHFFFAOYSA-N
XLogP0.48
TPSA139.30 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(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
N-[(2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl)methyl]pyridazin-4-amine;6-(trifluoromethyl)pyrazin-2-amine
CID 171557286
N-[(3aS,4R,7S,7aR)-2,2-dimethyl-4-[(pyridazin-4-ylamino)methyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 171557485
(2R,3R,4R)-2-[(pyridazin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 171557497
N-[(3aS,4R,7S,7aR)-2,2-dimethyl-4-[(pyridazin-3-ylamino)methyl]-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]-6-(trifluoromethyl)pyrazin-2-amine
CID 171557736
(3S,4R,5S)-1-pyridazin-3-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]piperidine-3,4-diol
CID 171557920
(2R,3R,4R,5S)-2-[[(4-methylpyrimidin-2-yl)amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 175626534
Ethane;2-methyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178007918
2-Ethyl-1-pyridazin-3-ylpiperidine-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 178008096

Frequently Asked Questions

What is the IUPAC name of 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171558364) is 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is Nc1cncc(C(F)(F)F)n1.OC1CCOC(CNc2ccnnc2)C1O.
What is the InChIKey of 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is HHTMVPQZSWYLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3.C5H4F3N3/c14-8-2-4-16-9(10(8)15)6-11-7-1-3-12-13-5-7;6-5(7,8)3-1-10-2-4(9)11-3/h1,3,5,8-10,14-15H,2,4,6H2,(H,11,12);1-2H,(H2,9,11).
What are the key properties of 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 388.35 g/mol, XLogP of 0.48, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171558364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).