3-fluoro-1,5-dimethyl-1,2,4-triazole

C4H6FN3 — CID 118466190

IUPAC3-fluoro-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(F)nn1C
InChIInChI=1S/C4H6FN3/c1-3-6-4(5)7-8(3)2/h1-2H3
InChIKeyBHHSQQQBWSESBO-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.26
Rot. Bonds

About 3-fluoro-1,5-dimethyl-1,2,4-triazole

3-fluoro-1,5-dimethyl-1,2,4-triazole (PubChem CID 118466190) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 3-fluoro-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-fluoro-1,5-dimethyl-1,2,4-triazole
PubChem CID118466190
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name3-fluoro-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(F)nn1C
InChIInChI=1S/C4H6FN3/c1-3-6-4(5)7-8(3)2/h1-2H3
InChIKeyBHHSQQQBWSESBO-UHFFFAOYSA-N
XLogP0.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
3,4-dimethyl-4H-1,2,4-triazole
CID 12217053
dimethyl-1H-1,2,4-triazole-5-carbonitrile
CID 82650970
5-Chloro-1,3-dimethyl-1H-1,2,4-triazole
CID 143397
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
3-chloro-4,5-dimethyl-4H-1,2,4-triazole
CID 143390
3-bromo-1,5-dimethyl-1H-1,2,4-triazole
CID 143394
1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-
CID 143396
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
1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
1-(Difluoromethyl)-3-methyl-1h-1,2,4-triazole
CID 89925217

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-fluoro-1,5-dimethyl-1,2,4-triazole (CID 118466190) is 3-fluoro-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-fluoro-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-fluoro-1,5-dimethyl-1,2,4-triazole is Cc1nc(F)nn1C.
What is the InChIKey of 3-fluoro-1,5-dimethyl-1,2,4-triazole?
The InChIKey is BHHSQQQBWSESBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-3-6-4(5)7-8(3)2/h1-2H3.
What are the key properties of 3-fluoro-1,5-dimethyl-1,2,4-triazole?
3-fluoro-1,5-dimethyl-1,2,4-triazole has a molecular weight of 115.11 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 118466190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).