8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile

C17H11F3N8 — CID 143973991

IUPAC8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(N)cc(Nc3cc(-n4cccn4)cc(C(F)(F)F)c3)nn12
InChIInChI=1S/C17H11F3N8/c18-17(19,20)10-4-11(6-12(5-10)27-3-1-2-24-27)25-15-7-14(22)16-23-9-13(8-21)28(16)26-15/h1-7,9H,22H2,(H,25,26)
InChIKeyVIPYVSKUDOKBBQ-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.13
Rot. Bonds3

About 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile

8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 143973991) has the molecular formula C17H11F3N8 and a molecular weight of 384.33 g/mol. Its IUPAC name is 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
PubChem CID143973991
Molecular FormulaC17H11F3N8
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
SMILESN#Cc1cnc2c(N)cc(Nc3cc(-n4cccn4)cc(C(F)(F)F)c3)nn12
InChIInChI=1S/C17H11F3N8/c18-17(19,20)10-4-11(6-12(5-10)27-3-1-2-24-27)25-15-7-14(22)16-23-9-13(8-21)28(16)26-15/h1-7,9H,22H2,(H,25,26)
InChIKeyVIPYVSKUDOKBBQ-UHFFFAOYSA-N
XLogP3.13
TPSA109.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile (CID 143973991) is 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile is N#Cc1cnc2c(N)cc(Nc3cc(-n4cccn4)cc(C(F)(F)F)c3)nn12.
What is the InChIKey of 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is VIPYVSKUDOKBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N8/c18-17(19,20)10-4-11(6-12(5-10)27-3-1-2-24-27)25-15-7-14(22)16-23-9-13(8-21)28(16)26-15/h1-7,9H,22H2,(H,25,26).
What are the key properties of 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile?
8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 384.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-[3-pyrazol-1-yl-5-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 143973991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).