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

C11H12F3N7 — CID 80825845

IUPACN-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine
SMILESCNc1cncc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C11H12F3N7/c1-15-7-4-16-5-8(17-7)20-2-3-21-9(6-20)18-19-10(21)11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,17)
InChIKeySKFNKCJZRAFEGE-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.15
Rot. Bonds2

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

N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine (PubChem CID 80825845) has the molecular formula C11H12F3N7 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine
PubChem CID80825845
Molecular FormulaC11H12F3N7
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC NameN-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine
SMILESCNc1cncc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C11H12F3N7/c1-15-7-4-16-5-8(17-7)20-2-3-21-9(6-20)18-19-10(21)11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,17)
InChIKeySKFNKCJZRAFEGE-UHFFFAOYSA-N
XLogP1.15
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine?
The IUPAC name of N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine (CID 80825845) is N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine?
The canonical SMILES for N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine is CNc1cncc(N2CCn3c(nnc3C(F)(F)F)C2)n1.
What is the InChIKey of N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine?
The InChIKey is SKFNKCJZRAFEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7/c1-15-7-4-16-5-8(17-7)20-2-3-21-9(6-20)18-19-10(21)11(12,13)14/h4-5H,2-3,6H2,1H3,(H,15,17).
What are the key properties of N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine?
N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine has a molecular weight of 299.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine is sourced from PubChem (CID 80825845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).