5-(fluoromethyl)-1-methyltriazole

C4H6FN3 — CID 130383515

IUPAC5-(fluoromethyl)-1-methyltriazole
SMILESCn1nncc1CF
InChIInChI=1S/C4H6FN3/c1-8-4(2-5)3-6-7-8/h3H,2H2,1H3
InChIKeySKPCGZVEHIIGFE-UHFFFAOYSA-N
MW115.11 g/mol
LogP0.28
Rot. Bonds1

About 5-(fluoromethyl)-1-methyltriazole

5-(fluoromethyl)-1-methyltriazole (PubChem CID 130383515) has the molecular formula C4H6FN3 and a molecular weight of 115.11 g/mol. Its IUPAC name is 5-(fluoromethyl)-1-methyltriazole.

Molecular Properties

Compound Name5-(fluoromethyl)-1-methyltriazole
PubChem CID130383515
Molecular FormulaC4H6FN3
Molecular Weight115.11 g/mol
Exact Mass115.05
IUPAC Name5-(fluoromethyl)-1-methyltriazole
SMILESCn1nncc1CF
InChIInChI=1S/C4H6FN3/c1-8-4(2-5)3-6-7-8/h3H,2H2,1H3
InChIKeySKPCGZVEHIIGFE-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

1-methyl-4-(trifluoromethyl)-1H-1,2,3-triazole
CID 14489354
1,5-dimethyl-1H-1,2,3-triazole
CID 15257141
(1-Methyl-1H-1,2,3-triazol-5-YL)methanamine
CID 55262944
5-ethynyl-1-methyl-1H-1,2,3-triazole
CID 114690178
4-Ethyl-1-(2-fluoroethyl)triazole
CID 58251782
1,4-Dimethyl-1H-1,2,3-triazole
CID 15257142
1-Methyl-5-(trifluoromethyl)triazole
CID 14489355
5-(bromomethyl)-1-methyl-1H-1,2,3-triazole hydrobromide
CID 165793893
1-(2-Fluoroethyl)-4-methyltriazole
CID 58251824
4-(Fluoromethyl)-1-propan-2-yltriazole
CID 58384196
1-(2,2-Dimethylpropyl)-4-(fluoromethyl)triazole
CID 58459497
4-(Fluoromethyl)-1-propyltriazole
CID 68218977

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-1-methyltriazole?
The IUPAC name of 5-(fluoromethyl)-1-methyltriazole (CID 130383515) is 5-(fluoromethyl)-1-methyltriazole.
What is the SMILES notation for 5-(fluoromethyl)-1-methyltriazole?
The canonical SMILES for 5-(fluoromethyl)-1-methyltriazole is Cn1nncc1CF.
What is the InChIKey of 5-(fluoromethyl)-1-methyltriazole?
The InChIKey is SKPCGZVEHIIGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FN3/c1-8-4(2-5)3-6-7-8/h3H,2H2,1H3.
What are the key properties of 5-(fluoromethyl)-1-methyltriazole?
5-(fluoromethyl)-1-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 5-(fluoromethyl)-1-methyltriazole is sourced from PubChem (CID 130383515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).