5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole

C8H10F3N3 — CID 134468907

IUPAC5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCC/C=C\c1nc(C(F)(F)F)nn1C
InChIInChI=1S/C8H10F3N3/c1-3-4-5-6-12-7(8(9,10)11)13-14(6)2/h4-5H,3H2,1-2H3/b5-4-
InChIKeyBAOIUFYOIOEEQW-PLNGDYQASA-N
MW205.18 g/mol
LogP2.26
Rot. Bonds2

About 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole

5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 134468907) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID134468907
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCC/C=C\c1nc(C(F)(F)F)nn1C
InChIInChI=1S/C8H10F3N3/c1-3-4-5-6-12-7(8(9,10)11)13-14(6)2/h4-5H,3H2,1-2H3/b5-4-
InChIKeyBAOIUFYOIOEEQW-PLNGDYQASA-N
XLogP2.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(Z)-but-2-en-2-yl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134469053
1-Methyl-5-[3-prop-1-enyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]tetrazole
CID 141419524
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
2-(Trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 175695649
1-But-3-enyl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 101918499
2-Methyl-5,6-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299738
2-Methyl-5,8-dihydro-[1,2,4]triazolo[1,5-a]pyridine
CID 68072987
2-methyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 91185483
1-But-2-enyl-3,5-dimethyl-1,2,4-triazole
CID 91278220
3,5-dimethyl-1-[(Z)-pent-3-en-2-yl]-1,2,4-triazole
CID 138485688

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole (CID 134468907) is 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is CC/C=C\c1nc(C(F)(F)F)nn1C.
What is the InChIKey of 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is BAOIUFYOIOEEQW-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10F3N3/c1-3-4-5-6-12-7(8(9,10)11)13-14(6)2/h4-5H,3H2,1-2H3/b5-4-.
What are the key properties of 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole?
5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 205.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 134468907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).