3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C17H17FN4O — CID 71212981

IUPAC3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFC1CC=C(c2cnc3ccc(NCc4ccco4)nn23)CC1
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-23-14/h1-3,7-9,11,13H,4-6,10H2,(H,19,21)
InChIKeyLFOLDCOHKQXKIW-UHFFFAOYSA-N
MW312.35 g/mol
LogP3.84
Rot. Bonds4

About 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 71212981) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID71212981
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFC1CC=C(c2cnc3ccc(NCc4ccco4)nn23)CC1
InChIInChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-23-14/h1-3,7-9,11,13H,4-6,10H2,(H,19,21)
InChIKeyLFOLDCOHKQXKIW-UHFFFAOYSA-N
XLogP3.84
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 71212981) is 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is FC1CC=C(c2cnc3ccc(NCc4ccco4)nn23)CC1.
What is the InChIKey of 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is LFOLDCOHKQXKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-13-5-3-12(4-6-13)15-11-20-17-8-7-16(21-22(15)17)19-10-14-2-1-9-23-14/h1-3,7-9,11,13H,4-6,10H2,(H,19,21).
What are the key properties of 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 312.35 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorocyclohexen-1-yl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 71212981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).