1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C19H23F2N9 — CID 171552277

IUPAC1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCN1CCCC(F)(F)C1.Nc1nc(N)c2c(-c3ccc4nccn4n3)ccn2n1
InChIInChI=1S/C12H10N8.C7H13F2N/c13-11-10-7(3-5-20(10)18-12(14)16-11)8-1-2-9-15-4-6-19(9)17-8;1-2-10-5-3-4-7(8,9)6-10/h1-6H,(H4,13,14,16,18);2-6H2,1H3
InChIKeyGIFXTPRNRFPGPI-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.34
Rot. Bonds2

About 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171552277) has the molecular formula C19H23F2N9 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171552277
Molecular FormulaC19H23F2N9
Molecular Weight415.45 g/mol
Exact Mass415.20
IUPAC Name1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCN1CCCC(F)(F)C1.Nc1nc(N)c2c(-c3ccc4nccn4n3)ccn2n1
InChIInChI=1S/C12H10N8.C7H13F2N/c13-11-10-7(3-5-20(10)18-12(14)16-11)8-1-2-9-15-4-6-19(9)17-8;1-2-10-5-3-4-7(8,9)6-10/h1-6H,(H4,13,14,16,18);2-6H2,1H3
InChIKeyGIFXTPRNRFPGPI-UHFFFAOYSA-N
XLogP2.34
TPSA115.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171552277) is 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CCN1CCCC(F)(F)C1.Nc1nc(N)c2c(-c3ccc4nccn4n3)ccn2n1.
What is the InChIKey of 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is GIFXTPRNRFPGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N8.C7H13F2N/c13-11-10-7(3-5-20(10)18-12(14)16-11)8-1-2-9-15-4-6-19(9)17-8;1-2-10-5-3-4-7(8,9)6-10/h1-6H,(H4,13,14,16,18);2-6H2,1H3.
What are the key properties of 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 415.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoropiperidine;5-imidazo[1,2-b]pyridazin-6-ylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171552277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).