1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole

C8H8F3N7 — CID 141419524

IUPAC1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole
SMILESCC=Cc1nc(C(F)(F)F)n(-c2nnnn2C)n1
InChIInChI=1S/C8H8F3N7/c1-3-4-5-12-6(8(9,10)11)18(14-5)7-13-15-16-17(7)2/h3-4H,1-2H3
InChIKeyKKWVYXLLWICRQJ-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.84
Rot. Bonds2

About 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole

1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole (PubChem CID 141419524) has the molecular formula C8H8F3N7 and a molecular weight of 259.20 g/mol. Its IUPAC name is 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole.

Molecular Properties

Compound Name1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole
PubChem CID141419524
Molecular FormulaC8H8F3N7
Molecular Weight259.20 g/mol
Exact Mass259.08
IUPAC Name1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole
SMILESCC=Cc1nc(C(F)(F)F)n(-c2nnnn2C)n1
InChIInChI=1S/C8H8F3N7/c1-3-4-5-12-6(8(9,10)11)18(14-5)7-13-15-16-17(7)2/h3-4H,1-2H3
InChIKeyKKWVYXLLWICRQJ-UHFFFAOYSA-N
XLogP0.84
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-methyl-prop enyl)-3-pyrrolidin-1-yl-1-(2,2,2-trifluoro-ethyl)-1H-[1,2,4]triazole
CID 90016776
1-(2,2-Difluoroethyl)-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole
CID 90016966
5-(2-Methylprop-1-enyl)-3-pyrrolidin-1-yl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 123408888
5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134468907
3-(3,3-Difluoropyrrolidin-1-yl)-5-ethenyl-1-methyl-1,2,4-triazole
CID 141381936
1-(2,2-Difluoroethyl)-5-ethenyl-3-pyrrolidin-1-yl-1,2,4-triazole
CID 141381938
5-Ethenyl-3-(3-fluoropyrrolidin-1-yl)-1-methyl-1,2,4-triazole
CID 141381952
1-Methyl-5-(2-methylprop-1-enyl)-3-pyrrolidin-1-yl-1,2,4-triazole;1,1,1-trifluoroethane
CID 145675773
5-(Difluoromethyl)-3-ethenyl-1-methyl-1,2,4-triazole
CID 169809302
5-Ethenyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 171542259
5-Ethenyl-1-propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 171723580

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole?
The IUPAC name of 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole (CID 141419524) is 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole.
What is the SMILES notation for 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole?
The canonical SMILES for 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole is CC=Cc1nc(C(F)(F)F)n(-c2nnnn2C)n1.
What is the InChIKey of 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole?
The InChIKey is KKWVYXLLWICRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N7/c1-3-4-5-12-6(8(9,10)11)18(14-5)7-13-15-16-17(7)2/h3-4H,1-2H3.
What are the key properties of 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole?
1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole has a molecular weight of 259.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole is sourced from PubChem (CID 141419524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).