(5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine

C13H20F3N5 — CID 143170674

IUPAC(5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine
SMILESCC1CC[C@H](N2CCn3nc(C(F)(F)F)nc3C2)CC1N
InChIInChI=1S/C13H20F3N5/c1-8-2-3-9(6-10(8)17)20-4-5-21-11(7-20)18-12(19-21)13(14,15)16/h8-10H,2-7,17H2,1H3/t8?,9-,10?/m0/s1
InChIKeyFPFFBIDCLLRHLE-KYHHOPLUSA-N
MW303.33 g/mol
LogP1.63
Rot. Bonds1

About (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine

(5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine (PubChem CID 143170674) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name(5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine
PubChem CID143170674
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC Name(5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine
SMILESCC1CC[C@H](N2CCn3nc(C(F)(F)F)nc3C2)CC1N
InChIInChI=1S/C13H20F3N5/c1-8-2-3-9(6-10(8)17)20-4-5-21-11(7-20)18-12(19-21)13(14,15)16/h8-10H,2-7,17H2,1H3/t8?,9-,10?/m0/s1
InChIKeyFPFFBIDCLLRHLE-KYHHOPLUSA-N
XLogP1.63
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine?
The IUPAC name of (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine (CID 143170674) is (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine.
What is the SMILES notation for (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine?
The canonical SMILES for (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine is CC1CC[C@H](N2CCn3nc(C(F)(F)F)nc3C2)CC1N.
What is the InChIKey of (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine?
The InChIKey is FPFFBIDCLLRHLE-KYHHOPLUSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-8-2-3-9(6-10(8)17)20-4-5-21-11(7-20)18-12(19-21)13(14,15)16/h8-10H,2-7,17H2,1H3/t8?,9-,10?/m0/s1.
What are the key properties of (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine?
(5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine has a molecular weight of 303.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-methyl-5-[2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]cyclohexan-1-amine is sourced from PubChem (CID 143170674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).