N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine

C13H20F3N5 — CID 103056326

IUPACN-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
SMILESCCNc1cnc(CN2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C13H20F3N5/c1-2-17-12-8-18-11(7-19-12)9-20-3-5-21(6-4-20)10-13(14,15)16/h7-8H,2-6,9-10H2,1H3,(H,17,19)
InChIKeyVOVGXAQTNKXJBG-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.59
Rot. Bonds5

About N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine

N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine (PubChem CID 103056326) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
PubChem CID103056326
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC NameN-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine
SMILESCCNc1cnc(CN2CCN(CC(F)(F)F)CC2)cn1
InChIInChI=1S/C13H20F3N5/c1-2-17-12-8-18-11(7-19-12)9-20-3-5-21(6-4-20)10-13(14,15)16/h7-8H,2-6,9-10H2,1H3,(H,17,19)
InChIKeyVOVGXAQTNKXJBG-UHFFFAOYSA-N
XLogP1.59
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-(piperidin-1-ylmethyl)pyrazin-2-amine
CID 103055450
5-[(3-tert-butylpyrrolidin-1-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056836
4-[[5-(ethylamino)pyrazin-2-yl]methyl]-1-methylpiperazin-2-one
CID 103056548
N-ethyl-5-[(4-propylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056522
5-[(2,6-dimethylthiomorpholin-4-yl)methyl]-N-ethylpyrazin-2-amine
CID 103056506
N-ethyl-5-(2,2,2-trifluoroethoxymethyl)pyrazin-2-amine
CID 103057969
2-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103056765
7-[[5-(ethylamino)pyrazin-2-yl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103056617
2-[1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 103056925
N-ethyl-5-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103056396
N-ethyl-5-[(2-methylpyrrolidin-1-yl)methyl]pyrazin-2-amine
CID 103055350
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-3-carboxylate
CID 103056712

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The IUPAC name of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine (CID 103056326) is N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine.
What is the SMILES notation for N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The canonical SMILES for N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine is CCNc1cnc(CN2CCN(CC(F)(F)F)CC2)cn1.
What is the InChIKey of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
The InChIKey is VOVGXAQTNKXJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-2-17-12-8-18-11(7-19-12)9-20-3-5-21(6-4-20)10-13(14,15)16/h7-8H,2-6,9-10H2,1H3,(H,17,19).
What are the key properties of N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine?
N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]pyrazin-2-amine is sourced from PubChem (CID 103056326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).