2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine

C11H14F3N3 — CID 122692062

IUPAC2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@@H]1C
InChIInChI=1S/C11H14F3N3/c1-7-5-17(6-8(7)2)10-4-15-9(3-16-10)11(12,13)14/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyWZBXTZZUPTYDOX-OCAPTIKFSA-N
MW245.25 g/mol
LogP2.59
Rot. Bonds1

About 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine

2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 122692062) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine
PubChem CID122692062
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@@H]1C
InChIInChI=1S/C11H14F3N3/c1-7-5-17(6-8(7)2)10-4-15-9(3-16-10)11(12,13)14/h3-4,7-8H,5-6H2,1-2H3/t7-,8+
InChIKeyWZBXTZZUPTYDOX-OCAPTIKFSA-N
XLogP2.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N,3,6-tetramethylpyrazin-2-amine
CID 8009163
2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
N,N-dimethyl-N'-[5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164682790
N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683015
N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164683151
N,N-dimethyl-N'-[6-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683152
N,N-diethyl-6-methylpyrazin-2-amine
CID 57604434
rel-(3R,4S)-4-isopropyl-N,N-dimethyl-1-(3-methyl-2-pyrazinyl)-3-pyrrolidinamine hydrochloride
CID 72894110
1-(2-methylpropyl)-5-(trifluoromethyl)-1H-imidazol-2-amine
CID 86775254
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 58157149
7-(3,3-dimethylbutyl)-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 67977969

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine (CID 122692062) is 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine is C[C@@H]1CN(c2cnc(C(F)(F)F)cn2)C[C@@H]1C.
What is the InChIKey of 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is WZBXTZZUPTYDOX-OCAPTIKFSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-7-5-17(6-8(7)2)10-4-15-9(3-16-10)11(12,13)14/h3-4,7-8H,5-6H2,1-2H3/t7-,8+.
What are the key properties of 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine?
2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 245.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3,4-dimethylpyrrolidin-1-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 122692062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).