1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine

C11H13F3N6 — CID 81251802

IUPAC1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine
SMILESCn1ncc(-c2nnc3n2CC(C(F)(F)F)CC3)c1N
InChIInChI=1S/C11H13F3N6/c1-19-9(15)7(4-16-19)10-18-17-8-3-2-6(5-20(8)10)11(12,13)14/h4,6H,2-3,5,15H2,1H3
InChIKeyMQKRYKHMQFGVFF-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.39
Rot. Bonds1

About 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine

1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine (PubChem CID 81251802) has the molecular formula C11H13F3N6 and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine
PubChem CID81251802
Molecular FormulaC11H13F3N6
Molecular Weight286.26 g/mol
Exact Mass286.12
IUPAC Name1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine
SMILESCn1ncc(-c2nnc3n2CC(C(F)(F)F)CC3)c1N
InChIInChI=1S/C11H13F3N6/c1-19-9(15)7(4-16-19)10-18-17-8-3-2-6(5-20(8)10)11(12,13)14/h4,6H,2-3,5,15H2,1H3
InChIKeyMQKRYKHMQFGVFF-UHFFFAOYSA-N
XLogP1.39
TPSA74.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine (CID 81251802) is 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine is Cn1ncc(-c2nnc3n2CC(C(F)(F)F)CC3)c1N.
What is the InChIKey of 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine?
The InChIKey is MQKRYKHMQFGVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6/c1-19-9(15)7(4-16-19)10-18-17-8-3-2-6(5-20(8)10)11(12,13)14/h4,6H,2-3,5,15H2,1H3.
What are the key properties of 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine?
1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine has a molecular weight of 286.26 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pyrazol-5-amine is sourced from PubChem (CID 81251802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).