N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H15F3N6 — CID 138019922

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)CN1CCCC1CNc1nccn2cnnc12
InChIInChI=1S/C12H15F3N6/c13-12(14,15)7-20-4-1-2-9(20)6-17-10-11-19-18-8-21(11)5-3-16-10/h3,5,8-9H,1-2,4,6-7H2,(H,16,17)
InChIKeyBFCONEXLBOBBCN-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.56
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 138019922) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID138019922
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESFC(F)(F)CN1CCCC1CNc1nccn2cnnc12
InChIInChI=1S/C12H15F3N6/c13-12(14,15)7-20-4-1-2-9(20)6-17-10-11-19-18-8-21(11)5-3-16-10/h3,5,8-9H,1-2,4,6-7H2,(H,16,17)
InChIKeyBFCONEXLBOBBCN-UHFFFAOYSA-N
XLogP1.56
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine with MolForge

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Related Compounds

3-propan-2-yl-N-[(2S)-4,4,4-trifluoro-2-methylbutyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 164637185
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 90411957
N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 121415323
N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 121415355
3-(2,2-Difluoropropyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 123909889
N-[(3,3-difluoropiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107520
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
CID 124107526
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 124107535
3-[3-(Trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 134299732
3-(3,3-Difluorocyclobutyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 138684317
3-(3-Fluoropiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295490
3-[2-(Trifluoromethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 139295577

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 138019922) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is FC(F)(F)CN1CCCC1CNc1nccn2cnnc12.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is BFCONEXLBOBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c13-12(14,15)7-20-4-1-2-9(20)6-17-10-11-19-18-8-21(11)5-3-16-10/h3,5,8-9H,1-2,4,6-7H2,(H,16,17).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 300.29 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 138019922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).