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

C14H17F3N6 — CID 154752788

IUPAC3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCc2nnc3n2CC(C(F)(F)F)CC3)n1
InChIInChI=1S/C14H17F3N6/c1-8-5-18-9(2)13(20-8)19-6-12-22-21-11-4-3-10(7-23(11)12)14(15,16)17/h5,10H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyRFXIJEHGOCNHST-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.42
Rot. Bonds3

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

3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine (PubChem CID 154752788) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine
PubChem CID154752788
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC Name3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine
SMILESCc1cnc(C)c(NCc2nnc3n2CC(C(F)(F)F)CC3)n1
InChIInChI=1S/C14H17F3N6/c1-8-5-18-9(2)13(20-8)19-6-12-22-21-11-4-3-10(7-23(11)12)14(15,16)17/h5,10H,3-4,6-7H2,1-2H3,(H,19,20)
InChIKeyRFXIJEHGOCNHST-UHFFFAOYSA-N
XLogP2.42
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine?
The IUPAC name of 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine (CID 154752788) is 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine?
The canonical SMILES for 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine is Cc1cnc(C)c(NCc2nnc3n2CC(C(F)(F)F)CC3)n1.
What is the InChIKey of 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine?
The InChIKey is RFXIJEHGOCNHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c1-8-5-18-9(2)13(20-8)19-6-12-22-21-11-4-3-10(7-23(11)12)14(15,16)17/h5,10H,3-4,6-7H2,1-2H3,(H,19,20).
What are the key properties of 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine?
3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine has a molecular weight of 326.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 154752788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).