4-(fluoromethyl)-2-methyltriazole

C4H6FN3 — CID 90727726

IUPAC4-(fluoromethyl)-2-methyltriazole
SMILESCn1ncc(CF)n1
InChIInChI=1S/C4H6FN3/c1-8-6-3-4(2-5)7-8/h3H,2H2,1H3
InChIKeyVLBHBERRNZKWHM-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.28
Rot. Bonds1

About 4-(fluoromethyl)-2-methyltriazole

4-(fluoromethyl)-2-methyltriazole (PubChem CID 90727726) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-methyltriazole.

Molecular Properties

Compound Name4-(fluoromethyl)-2-methyltriazole
PubChem CID90727726
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name4-(fluoromethyl)-2-methyltriazole
SMILESCn1ncc(CF)n1
InChIInChI=1S/C4H6FN3/c1-8-6-3-4(2-5)7-8/h3H,2H2,1H3
InChIKeyVLBHBERRNZKWHM-UHFFFAOYSA-N
XLogP0.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.11
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1H-1,2,3-triazole
CID 12933420
(2-methyl-2H-1,2,3-triazol-4-yl)methanamine
CID 55284239
(2-ethyl-2H-1,2,3-triazol-4-yl)methanamine
CID 68179807
4-(Bromomethyl)-2-methyl-2H-1,2,3-triazole
CID 68964739
2,4-Dimethyl-2H-1,2,3-triazole
CID 13610389
1-Bromodifluoromethyltriazole
CID 129793033
(Hexafluoropropan-2-yl)-5-(trifluoromethyl)-2h-1,2,3-triazole
CID 129859725
2-[(4-Methyltriazol-2-yl)methylidene]propanedinitrile
CID 12933422
3-Amino-5-methyltriazole
CID 18688999
5-Ethyl-1-fluorotriazole
CID 22506918
4-(Difluoromethyl)-2-methyltriazole
CID 67726154
4-(Trifluoromethyl)triazole-2-carbonitrile
CID 68617117

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-methyltriazole?
The IUPAC name of 4-(fluoromethyl)-2-methyltriazole (CID 90727726) is 4-(fluoromethyl)-2-methyltriazole.
What is the SMILES notation for 4-(fluoromethyl)-2-methyltriazole?
The canonical SMILES for 4-(fluoromethyl)-2-methyltriazole is Cn1ncc(CF)n1.
What is the InChIKey of 4-(fluoromethyl)-2-methyltriazole?
The InChIKey is VLBHBERRNZKWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-8-6-3-4(2-5)7-8/h3H,2H2,1H3.
What are the key properties of 4-(fluoromethyl)-2-methyltriazole?
4-(fluoromethyl)-2-methyltriazole has a molecular weight of 115.11 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-methyltriazole is sourced from PubChem (CID 90727726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).