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

C11H14F3N5 — CID 133276822

IUPACN-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)CN(C)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C11H14F3N5/c1-7(2)6-18(3)9-5-4-8-15-16-10(11(12,13)14)19(8)17-9/h4-5,7H,6H2,1-3H3
InChIKeyVNGHTCSAHMSHLS-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.24
Rot. Bonds3

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

N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133276822) has the molecular formula C11H14F3N5 and a molecular weight of 273.26 g/mol. Its IUPAC name is N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133276822
Molecular FormulaC11H14F3N5
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC NameN-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)CN(C)c1ccc2nnc(C(F)(F)F)n2n1
InChIInChI=1S/C11H14F3N5/c1-7(2)6-18(3)9-5-4-8-15-16-10(11(12,13)14)19(8)17-9/h4-5,7H,6H2,1-3H3
InChIKeyVNGHTCSAHMSHLS-UHFFFAOYSA-N
XLogP2.24
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(2-cyclopropylethyl)-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133398471
N-methyl-N-[(3-propan-2-yloxyphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133417104
N-[(3-chlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 51300894
N-[(2,3-dichlorophenyl)methyl]-N-methyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 24587613
N-(4-fluorophenyl)-2-[methyl-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 17416959
N-(4,4,4-trifluorobutan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 104854594
N-cyclopropyl-N-[(4-methylphenyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 34001574
(2S)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434767
N,2-dimethyl-N'-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]propane-1,3-diamine
CID 106950639
N-pent-4-yn-2-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 103705063
N-(1-ethylsulfanylpropan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 103705215

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133276822) is N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)CN(C)c1ccc2nnc(C(F)(F)F)n2n1.
What is the InChIKey of N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is VNGHTCSAHMSHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5/c1-7(2)6-18(3)9-5-4-8-15-16-10(11(12,13)14)19(8)17-9/h4-5,7H,6H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 273.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpropyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133276822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).