(2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine

C12H17F3N4 — CID 118326080

IUPAC(2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine
SMILESCCc1nc(C(F)(F)F)cnc1NC1CCC[C@@H]1N
InChIInChI=1S/C12H17F3N4/c1-2-8-11(19-9-5-3-4-7(9)16)17-6-10(18-8)12(13,14)15/h6-7,9H,2-5,16H2,1H3,(H,17,19)/t7-,9?/m0/s1
InChIKeyOKQVIURPNQJLFJ-JAVCKPHESA-N
MW274.29 g/mol
LogP2.35
Rot. Bonds3

About (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine

(2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine (PubChem CID 118326080) has the molecular formula C12H17F3N4 and a molecular weight of 274.29 g/mol. Its IUPAC name is (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine
PubChem CID118326080
Molecular FormulaC12H17F3N4
Molecular Weight274.29 g/mol
Exact Mass274.14
IUPAC Name(2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine
SMILESCCc1nc(C(F)(F)F)cnc1NC1CCC[C@@H]1N
InChIInChI=1S/C12H17F3N4/c1-2-8-11(19-9-5-3-4-7(9)16)17-6-10(18-8)12(13,14)15/h6-7,9H,2-5,16H2,1H3,(H,17,19)/t7-,9?/m0/s1
InChIKeyOKQVIURPNQJLFJ-JAVCKPHESA-N
XLogP2.35
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-1-N-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]cyclopentane-1,2-diamine;hydrochloride
CID 118308208
cis-(1S,2R)-2-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]cyclohexane-1,2-diamine
CID 93453945
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine
CID 104732485
trans-(1R,2R)-2-N-(3,6-dimethylpyrazin-2-yl)cyclohexane-1,2-diamine
CID 93453704
2-[(2-aminocyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875709
trans-(1S,2S)-1-N-[3-ethenyl-5-(trifluoromethyl)pyrazin-2-yl]-2-N-[(2-methylpropan-2-yl)oxymethyl]cyclopentane-1,2-diamine
CID 126667550
2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine
CID 104732368
3-[(2-aminocyclopentyl)amino]-1-propylpyrazin-2-one
CID 63252226
trans-(1R,2R)-2-N-(5-chloro-3-fluoro-2-pyridinyl)cyclohexane-1,2-diamine
CID 102738799
2-N-(2-chloro-5-fluoropyrimidin-4-yl)cyclohexane-1,2-diamine
CID 88589836
1-N-(4-ethylphenyl)cyclopentane-1,2-diamine
CID 102571486
1-N-pyrazin-2-ylcyclopentane-1,2-diamine
CID 63252369

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
The IUPAC name of (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine (CID 118326080) is (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine.
What is the SMILES notation for (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
The canonical SMILES for (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine is CCc1nc(C(F)(F)F)cnc1NC1CCC[C@@H]1N.
What is the InChIKey of (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
The InChIKey is OKQVIURPNQJLFJ-JAVCKPHESA-N. The full InChI is InChI=1S/C12H17F3N4/c1-2-8-11(19-9-5-3-4-7(9)16)17-6-10(18-8)12(13,14)15/h6-7,9H,2-5,16H2,1H3,(H,17,19)/t7-,9?/m0/s1.
What are the key properties of (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine?
(2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine has a molecular weight of 274.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-[3-ethyl-5-(trifluoromethyl)pyrazin-2-yl]cyclopentane-1,2-diamine is sourced from PubChem (CID 118326080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).