6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine

C19H21F3N6 — CID 91266578

IUPAC6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine
SMILESNC1CCC(Nc2cc(Nc3ccc(C(F)(F)F)cc3)c3nccn3n2)CC1
InChIInChI=1S/C19H21F3N6/c20-19(21,22)12-1-5-14(6-2-12)25-16-11-17(27-28-10-9-24-18(16)28)26-15-7-3-13(23)4-8-15/h1-2,5-6,9-11,13,15,25H,3-4,7-8,23H2,(H,26,27)
InChIKeyIFZLYHHMWASNDF-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.17
Rot. Bonds4

About 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine

6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 91266578) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID91266578
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine
SMILESNC1CCC(Nc2cc(Nc3ccc(C(F)(F)F)cc3)c3nccn3n2)CC1
InChIInChI=1S/C19H21F3N6/c20-19(21,22)12-1-5-14(6-2-12)25-16-11-17(27-28-10-9-24-18(16)28)26-15-7-3-13(23)4-8-15/h1-2,5-6,9-11,13,15,25H,3-4,7-8,23H2,(H,26,27)
InChIKeyIFZLYHHMWASNDF-UHFFFAOYSA-N
XLogP4.17
TPSA80.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine (CID 91266578) is 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine is NC1CCC(Nc2cc(Nc3ccc(C(F)(F)F)cc3)c3nccn3n2)CC1.
What is the InChIKey of 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is IFZLYHHMWASNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c20-19(21,22)12-1-5-14(6-2-12)25-16-11-17(27-28-10-9-24-18(16)28)26-15-7-3-13(23)4-8-15/h1-2,5-6,9-11,13,15,25H,3-4,7-8,23H2,(H,26,27).
What are the key properties of 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine?
6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 390.41 g/mol, XLogP of 4.17, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminocyclohexyl)-8-N-[4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 91266578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).