3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C10H7F6N5 — CID 106214849

IUPAC3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC3(C(F)(F)F)CC3)nn12
InChIInChI=1S/C10H7F6N5/c11-9(12,13)7-19-18-6-2-1-5(20-21(6)7)17-8(3-4-8)10(14,15)16/h1-2H,3-4H2,(H,17,20)
InChIKeyYZBSGYHIHWSXKX-UHFFFAOYSA-N
MW311.19 g/mol
LogP2.65
Rot. Bonds2

About 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 106214849) has the molecular formula C10H7F6N5 and a molecular weight of 311.19 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID106214849
Molecular FormulaC10H7F6N5
Molecular Weight311.19 g/mol
Exact Mass311.06
IUPAC Name3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC3(C(F)(F)F)CC3)nn12
InChIInChI=1S/C10H7F6N5/c11-9(12,13)7-19-18-6-2-1-5(20-21(6)7)17-8(3-4-8)10(14,15)16/h1-2H,3-4H2,(H,17,20)
InChIKeyYZBSGYHIHWSXKX-UHFFFAOYSA-N
XLogP2.65
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol
CID 103792112
N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 104938275
N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950612
N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
N-(4,4,4-trifluorobutan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 104854594
N-[(1-methylsulfanylcyclobutyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 107268757
N-[(1-methylsulfonylcyclopropyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 146127734
N-pent-4-yn-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 103705063
2-methyl-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propanamide
CID 106950548
1,1-difluoro-3-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propan-2-ol
CID 103731282
2-ethyl-2-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950611

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 106214849) is 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1nnc2ccc(NC3(C(F)(F)F)CC3)nn12.
What is the InChIKey of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is YZBSGYHIHWSXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6N5/c11-9(12,13)7-19-18-6-2-1-5(20-21(6)7)17-8(3-4-8)10(14,15)16/h1-2H,3-4H2,(H,17,20).
What are the key properties of 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 311.19 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 106214849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).