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

C11H12F3N7 — CID 80827597

IUPACN-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine
SMILESCNc1nccc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C11H12F3N7/c1-15-10-16-3-2-7(17-10)20-4-5-21-8(6-20)18-19-9(21)11(12,13)14/h2-3H,4-6H2,1H3,(H,15,16,17)
InChIKeyJBGYEEMBGWSGII-UHFFFAOYSA-N
MW299.26 g/mol
LogP1.15
Rot. Bonds2

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

N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine (PubChem CID 80827597) has the molecular formula C11H12F3N7 and a molecular weight of 299.26 g/mol. Its IUPAC name is N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine
PubChem CID80827597
Molecular FormulaC11H12F3N7
Molecular Weight299.26 g/mol
Exact Mass299.11
IUPAC NameN-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine
SMILESCNc1nccc(N2CCn3c(nnc3C(F)(F)F)C2)n1
InChIInChI=1S/C11H12F3N7/c1-15-10-16-3-2-7(17-10)20-4-5-21-8(6-20)18-19-9(21)11(12,13)14/h2-3H,4-6H2,1H3,(H,15,16,17)
InChIKeyJBGYEEMBGWSGII-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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Related Compounds

N-methyl-6-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-amine
CID 80825845
2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridin-4-amine
CID 64575961
4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyridine-2-carbonitrile
CID 64576388
8-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]quinoline
CID 133394249
2-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1H-pyrimidin-6-one
CID 136957925
N-methyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80838050
1-[4-[2-(methylamino)pyrimidin-4-yl]-1,4-diazepan-1-yl]ethanone
CID 80821422
3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]aniline
CID 64574998
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
methyl N-[5-[[5-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-yl]methylamino]isoquinolin-1-yl]carbamate;molecular hydrogen
CID 163390449
5-methyl-7-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163356731
4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
The IUPAC name of N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine (CID 80827597) is N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine.
What is the SMILES notation for N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
The canonical SMILES for N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine is CNc1nccc(N2CCn3c(nnc3C(F)(F)F)C2)n1.
What is the InChIKey of N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
The InChIKey is JBGYEEMBGWSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N7/c1-15-10-16-3-2-7(17-10)20-4-5-21-8(6-20)18-19-9(21)11(12,13)14/h2-3H,4-6H2,1H3,(H,15,16,17).
What are the key properties of N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine?
N-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-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-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrimidin-2-amine is sourced from PubChem (CID 80827597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).