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

C14H18F3N7 — CID 138008451

IUPACN,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(N(C)Cc2nnc3n2CC(C(F)(F)F)CC3)nc1C
InChIInChI=1S/C14H18F3N7/c1-8-9(2)19-22-13(18-8)23(3)7-12-21-20-11-5-4-10(6-24(11)12)14(15,16)17/h10H,4-7H2,1-3H3
InChIKeyKJIQTNJMAHJJFZ-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.84
Rot. Bonds3

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

N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine (PubChem CID 138008451) has the molecular formula C14H18F3N7 and a molecular weight of 341.34 g/mol. Its IUPAC name is N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine
PubChem CID138008451
Molecular FormulaC14H18F3N7
Molecular Weight341.34 g/mol
Exact Mass341.16
IUPAC NameN,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine
SMILESCc1nnc(N(C)Cc2nnc3n2CC(C(F)(F)F)CC3)nc1C
InChIInChI=1S/C14H18F3N7/c1-8-9(2)19-22-13(18-8)23(3)7-12-21-20-11-5-4-10(6-24(11)12)14(15,16)17/h10H,4-7H2,1-3H3
InChIKeyKJIQTNJMAHJJFZ-UHFFFAOYSA-N
XLogP1.84
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine?
The IUPAC name of N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine (CID 138008451) is N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine is Cc1nnc(N(C)Cc2nnc3n2CC(C(F)(F)F)CC3)nc1C.
What is the InChIKey of N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine?
The InChIKey is KJIQTNJMAHJJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N7/c1-8-9(2)19-22-13(18-8)23(3)7-12-21-20-11-5-4-10(6-24(11)12)14(15,16)17/h10H,4-7H2,1-3H3.
What are the key properties of N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine?
N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 341.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,6-trimethyl-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 138008451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).