(2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine

C11H15F3N8 — CID 129401283

IUPAC(2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
SMILESFC(F)(F)Cn1nnnc1CN1CCCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C11H15F3N8/c12-11(13,14)6-22-9(17-19-20-22)5-21-4-2-1-3-8(21)10-15-7-16-18-10/h7-8H,1-6H2,(H,15,16,18)/t8-/m0/s1
InChIKeyGOYMVOMNINVZTR-QMMMGPOBSA-N
MW316.29 g/mol
LogP1.08
Rot. Bonds4

About (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine

(2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine (PubChem CID 129401283) has the molecular formula C11H15F3N8 and a molecular weight of 316.29 g/mol. Its IUPAC name is (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name(2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
PubChem CID129401283
Molecular FormulaC11H15F3N8
Molecular Weight316.29 g/mol
Exact Mass316.14
IUPAC Name(2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine
SMILESFC(F)(F)Cn1nnnc1CN1CCCC[C@H]1c1ncn[nH]1
InChIInChI=1S/C11H15F3N8/c12-11(13,14)6-22-9(17-19-20-22)5-21-4-2-1-3-8(21)10-15-7-16-18-10/h7-8H,1-6H2,(H,15,16,18)/t8-/m0/s1
InChIKeyGOYMVOMNINVZTR-QMMMGPOBSA-N
XLogP1.08
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 129613238
3-Methyl-5-(4-[3-(2-[2,2,2-trifluoroethyl]guanidino)-1,2,4-triazol-1-yl]butyl)-1,2,4-triazole
CID 21279818
1,2,4-Triazol-yl-azabicyclo[3.1.0]hexane
CID 132281386
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54884743
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64545803
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64546920
4,4,4-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360090
N-ethyl-4,4,4-trifluoro-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360240
2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 84599253
(2S)-2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 97613425
(2R)-2-(1H-1,2,4-triazol-5-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 97613426
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 106282193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine?
The IUPAC name of (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine (CID 129401283) is (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine is FC(F)(F)Cn1nnnc1CN1CCCC[C@H]1c1ncn[nH]1.
What is the InChIKey of (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine?
The InChIKey is GOYMVOMNINVZTR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15F3N8/c12-11(13,14)6-22-9(17-19-20-22)5-21-4-2-1-3-8(21)10-15-7-16-18-10/h7-8H,1-6H2,(H,15,16,18)/t8-/m0/s1.
What are the key properties of (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine?
(2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine has a molecular weight of 316.29 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-1,2,4-triazol-5-yl)-1-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 129401283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).