6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine

C16H16F3N7 — CID 89082126

IUPAC6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine
SMILESNc1cc(Nc2cc(NC3CC3)c3ncc(N)n3n2)ccc1C(F)(F)F
InChIInChI=1S/C16H16F3N7/c17-16(18,19)10-4-3-9(5-11(10)20)24-14-6-12(23-8-1-2-8)15-22-7-13(21)26(15)25-14/h3-8,23H,1-2,20-21H2,(H,24,25)
InChIKeyGIALSWOYAUGKOA-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.23
Rot. Bonds4

About 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine

6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine (PubChem CID 89082126) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine.

Molecular Properties

Compound Name6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine
PubChem CID89082126
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC Name6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine
SMILESNc1cc(Nc2cc(NC3CC3)c3ncc(N)n3n2)ccc1C(F)(F)F
InChIInChI=1S/C16H16F3N7/c17-16(18,19)10-4-3-9(5-11(10)20)24-14-6-12(23-8-1-2-8)15-22-7-13(21)26(15)25-14/h3-8,23H,1-2,20-21H2,(H,24,25)
InChIKeyGIALSWOYAUGKOA-UHFFFAOYSA-N
XLogP3.23
TPSA106.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-(trifluoromethyl)phenyl]acetamide
CID 70901103
N-[5-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-methylphenyl]acetamide
CID 70900932
6-[4-cyano-3-(trifluoromethyl)anilino]-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313968
1-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]pyrrolidin-2-one
CID 70901098
N-[3-[[3-amino-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]propanamide
CID 70900897
8-N-cyclopropyl-6-N-[4-[2-(dimethylamino)ethyl-methylamino]-3-(1,2,4-triazol-4-yl)phenyl]imidazo[1,2-b]pyridazine-3,6,8-triamine
CID 70900887
6-N-[3-amino-4-(trifluoromethoxy)phenyl]-8-N-pyridin-2-ylimidazo[1,2-b]pyridazine-3,6,8-triamine
CID 89082242
6-(3-amino-5-cyanoanilino)-8-(cyclopropylamino)imidazo[1,2-b]pyridazine-3-carbonitrile
CID 45378019
8-(cyclopropylamino)-6-[3-(1,2,4-triazol-1-yl)-4-(trifluoromethoxy)anilino]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 59313981
N-[5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]-2-fluorophenyl]methanesulfinamide
CID 143973962
N-[2-(4-aminopiperidin-1-yl)-5-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]phenyl]-N-methanimidoylmethanimidamide
CID 143973978
6-N-[3-amino-5-(trifluoromethyl)phenyl]-8-N-(2-methoxyethyl)imidazo[1,2-b]pyridazine-3,6,8-triamine
CID 89082256

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine?
The IUPAC name of 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine (CID 89082126) is 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine.
What is the SMILES notation for 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine?
The canonical SMILES for 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine is Nc1cc(Nc2cc(NC3CC3)c3ncc(N)n3n2)ccc1C(F)(F)F.
What is the InChIKey of 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine?
The InChIKey is GIALSWOYAUGKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c17-16(18,19)10-4-3-9(5-11(10)20)24-14-6-12(23-8-1-2-8)15-22-7-13(21)26(15)25-14/h3-8,23H,1-2,20-21H2,(H,24,25).
What are the key properties of 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine?
6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine has a molecular weight of 363.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-amino-4-(trifluoromethyl)phenyl]-8-N-cyclopropylimidazo[1,2-b]pyridazine-3,6,8-triamine is sourced from PubChem (CID 89082126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).