5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

C8H10F3N3 — CID 146512200

IUPAC5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(C2CC2)n(CC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-5-12-7(6-2-3-6)14(13-5)4-8(9,10)11/h6H,2-4H2,1H3
InChIKeyRETLOXVMIVTTPJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.03
Rot. Bonds2

About 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole

5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (PubChem CID 146512200) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
PubChem CID146512200
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
SMILESCc1nc(C2CC2)n(CC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3/c1-5-12-7(6-2-3-6)14(13-5)4-8(9,10)11/h6H,2-4H2,1H3
InChIKeyRETLOXVMIVTTPJ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-cyclopropyl-1-methyl-1H-1,2,4-triazole
CID 84035176
(3-cyclopropyl-1-methyl-1H-1,2,4-triazol-5-yl)methanamine
CID 62720360
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
5-Cyclopropyl-1-methyl-1,2,4-triazole
CID 15496057
1,3-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 18338551
3,5-Bis(1,1,2,2,3,3,3-heptafluoropropyl)-1-methyl-1,2,4-triazole
CID 259674
1-But-2-ynyl-3,5-dicyclopropyl-1,2,4-triazole
CID 75508483
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
3-(1,1-Difluoropentyl)-1-methyl-5-(2-methylpropyl)-1,2,4-triazole
CID 57280410
1,5-Di(propan-2-yl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57973778
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The IUPAC name of 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole (CID 146512200) is 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The canonical SMILES for 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is Cc1nc(C2CC2)n(CC(F)(F)F)n1.
What is the InChIKey of 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
The InChIKey is RETLOXVMIVTTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c1-5-12-7(6-2-3-6)14(13-5)4-8(9,10)11/h6H,2-4H2,1H3.
What are the key properties of 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole?
5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole has a molecular weight of 205.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 146512200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).