5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole

C5H7BrFN3 — CID 134515728

IUPAC5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole
SMILESCc1nc(Br)n(CCF)n1
InChIInChI=1S/C5H7BrFN3/c1-4-8-5(6)10(9-4)3-2-7/h2-3H2,1H3
InChIKeyVDKYBEWHGLLLKF-UHFFFAOYSA-N
MW208.03 g/mol
LogP1.32
Rot. Bonds2

About 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole

5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole (PubChem CID 134515728) has the molecular formula C5H7BrFN3 and a molecular weight of 208.03 g/mol. Its IUPAC name is 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole
PubChem CID134515728
Molecular FormulaC5H7BrFN3
Molecular Weight208.03 g/mol
Exact Mass206.98
IUPAC Name5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole
SMILESCc1nc(Br)n(CCF)n1
InChIInChI=1S/C5H7BrFN3/c1-4-8-5(6)10(9-4)3-2-7/h2-3H2,1H3
InChIKeyVDKYBEWHGLLLKF-UHFFFAOYSA-N
XLogP1.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.03
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-1,3-dimethyl-1H-1,2,4-triazole
CID 143397
4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-
CID 143389
3-bromo-1,5-dimethyl-1H-1,2,4-triazole
CID 143394
1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-
CID 143396
3-bromo-1-methyl-1H-1,2,4-triazole-5-carbonitrile
CID 56776531
5-bromo-1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 74890143
5-bromo-3-(difluoromethyl)-1-methyl-1H-1,2,4-triazole
CID 155821892
1-(Difluoromethyl)-3-methyl-1h-1,2,4-triazole
CID 89925217
1-(Difluoromethyl)-5-methyl-1h-1,2,4-triazole
CID 138392529
1,3-Dimethyl-1,2,4-triazole
CID 307977
3-Chloro-1,5-dimethyl-1H-1,2,4-triazole
CID 143395
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole?
The IUPAC name of 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole (CID 134515728) is 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole.
What is the SMILES notation for 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole?
The canonical SMILES for 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole is Cc1nc(Br)n(CCF)n1.
What is the InChIKey of 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole?
The InChIKey is VDKYBEWHGLLLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrFN3/c1-4-8-5(6)10(9-4)3-2-7/h2-3H2,1H3.
What are the key properties of 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole?
5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole has a molecular weight of 208.03 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2-fluoroethyl)-3-methyl-1,2,4-triazole is sourced from PubChem (CID 134515728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).