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

C12H14F3N5 — CID 133398471

IUPACN-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(CCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C12H14F3N5/c1-19(7-6-8-2-3-8)10-5-4-9-16-17-11(12(13,14)15)20(9)18-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyOQPPKAYTVGCUMR-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.38
Rot. Bonds4

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

N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133398471) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133398471
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(CCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C12H14F3N5/c1-19(7-6-8-2-3-8)10-5-4-9-16-17-11(12(13,14)15)20(9)18-10/h4-5,8H,2-3,6-7H2,1H3
InChIKeyOQPPKAYTVGCUMR-UHFFFAOYSA-N
XLogP2.38
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethanol
CID 24587376
N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133276822
N-cyclopropyl-N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 34001574
N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24587613
N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300894
N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 17416959
6-(3-ethylazetidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149788
N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133417104
6-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 59149727
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133356559
[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidin-3-yl]methanol
CID 67340864
5-fluoro-N,6-dimethyl-N-[[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-yl]methyl]pyrimidin-4-amine
CID 163348541

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133398471) is N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(CCC1CC1)c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OQPPKAYTVGCUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-19(7-6-8-2-3-8)10-5-4-9-16-17-11(12(13,14)15)20(9)18-10/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 285.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133398471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).