N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine

C12H15F3N4 — CID 59396007

IUPACN-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@@H]2C[C@@H]3C[C@@H]3CN2)cn1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)10-5-19-11(6-17-10)18-4-9-2-7-1-8(7)3-16-9/h5-9,16H,1-4H2,(H,18,19)/t7-,8+,9-/m0/s1
InChIKeyZXFMZYBSRVPZRO-YIZRAAEISA-N
MW272.27 g/mol
LogP1.91
Rot. Bonds3

About N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine

N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine (PubChem CID 59396007) has the molecular formula C12H15F3N4 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
PubChem CID59396007
Molecular FormulaC12H15F3N4
Molecular Weight272.27 g/mol
Exact Mass272.12
IUPAC NameN-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@@H]2C[C@@H]3C[C@@H]3CN2)cn1
InChIInChI=1S/C12H15F3N4/c13-12(14,15)10-5-19-11(6-17-10)18-4-9-2-7-1-8(7)3-16-9/h5-9,16H,1-4H2,(H,18,19)/t7-,8+,9-/m0/s1
InChIKeyZXFMZYBSRVPZRO-YIZRAAEISA-N
XLogP1.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
1,1-dimethylethyl (1S,4S,6S)-4-({[5-(trifluoromethyl)-2-pyrazinyl]amino}methyl)-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 59396005
N-[[(4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 66636898
(1S,4S,6S)-4-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 67538717
N-[[(2S,4S)-4,5-dimethylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine
CID 70227072
cis-(1R,2R)-1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71226814
1-[1-[5-(Trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71227298
1-[(3S)-1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71227518
(1R,2R)-N1-((S)-1-(5-(trifluoromethyl)pyrazin-2-yl)piperidin-3-yl)cyclohexane-1,2-diamine
CID 71233138
(1R,2R)-2-N-[1-[5-(trifluoromethyl)pyrazin-2-yl]piperidin-3-yl]cyclohexane-1,2-diamine
CID 71233139
Tert-butyl 4-[[[5-(trifluoromethyl)pyrazin-2-yl]amino]methyl]-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 72287421
N-(3-azabicyclo[4.1.0]heptan-4-ylmethyl)-5-(trifluoromethyl)pyrazin-2-amine
CID 72287423

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine (CID 59396007) is N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine is FC(F)(F)c1cnc(NC[C@@H]2C[C@@H]3C[C@@H]3CN2)cn1.
What is the InChIKey of N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is ZXFMZYBSRVPZRO-YIZRAAEISA-N. The full InChI is InChI=1S/C12H15F3N4/c13-12(14,15)10-5-19-11(6-17-10)18-4-9-2-7-1-8(7)3-16-9/h5-9,16H,1-4H2,(H,18,19)/t7-,8+,9-/m0/s1.
What are the key properties of N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine?
N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 272.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,4S,6S)-3-azabicyclo[4.1.0]heptan-4-yl]methyl]-5-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 59396007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).