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

C18H23F3N6O3 — CID 171557286

IUPACN-[(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
SMILESCC1(C)OC2CCOC(CNc3ccnnc3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C13H19N3O3.C5H4F3N3/c1-13(2)18-10-4-6-17-11(12(10)19-13)8-14-9-3-5-15-16-7-9;6-5(7,8)3-1-10-2-4(9)11-3/h3,5,7,10-12H,4,6,8H2,1-2H3,(H,14,15);1-2H,(H2,9,11)
InChIKeyAAFXKULYQLREDR-UHFFFAOYSA-N
MW428.42 g/mol
LogP2.28
Rot. Bonds3

About 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

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 (PubChem CID 171557286) has the molecular formula C18H23F3N6O3 and a molecular weight of 428.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID171557286
Molecular FormulaC18H23F3N6O3
Molecular Weight428.42 g/mol
Exact Mass428.18
IUPAC NameN-[(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
SMILESCC1(C)OC2CCOC(CNc3ccnnc3)C2O1.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C13H19N3O3.C5H4F3N3/c1-13(2)18-10-4-6-17-11(12(10)19-13)8-14-9-3-5-15-16-7-9;6-5(7,8)3-1-10-2-4(9)11-3/h3,5,7,10-12H,4,6,8H2,1-2H3,(H,14,15);1-2H,(H2,9,11)
InChIKeyAAFXKULYQLREDR-UHFFFAOYSA-N
XLogP2.28
TPSA117.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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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
(2R,3R,4R,5S)-2-[(pyridazin-3-ylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 171557216
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
2-[(Pyridazin-4-ylamino)methyl]oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
CID 171558364

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)OC2CCOC(CNc3ccnnc3)C2O1.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 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?
The InChIKey is AAFXKULYQLREDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.C5H4F3N3/c1-13(2)18-10-4-6-17-11(12(10)19-13)8-14-9-3-5-15-16-7-9;6-5(7,8)3-1-10-2-4(9)11-3/h3,5,7,10-12H,4,6,8H2,1-2H3,(H,14,15);1-2H,(H2,9,11).
What are the key properties of 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?
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 has a molecular weight of 428.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171557286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).