1-ethyl-5-fluoro-4-methyltriazole

C5H8FN3 — CID 69382924

IUPAC1-ethyl-5-fluoro-4-methyltriazole
SMILESCCn1nnc(C)c1F
InChIInChI=1S/C5H8FN3/c1-3-9-5(6)4(2)7-8-9/h3H2,1-2H3
InChIKeyCKLQEMDIIHTTHG-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.75
Rot. Bonds1

About 1-ethyl-5-fluoro-4-methyltriazole

1-ethyl-5-fluoro-4-methyltriazole (PubChem CID 69382924) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-4-methyltriazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-4-methyltriazole
PubChem CID69382924
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-ethyl-5-fluoro-4-methyltriazole
SMILESCCn1nnc(C)c1F
InChIInChI=1S/C5H8FN3/c1-3-9-5(6)4(2)7-8-9/h3H2,1-2H3
InChIKeyCKLQEMDIIHTTHG-UHFFFAOYSA-N
XLogP0.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-5-fluoro-4-methyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4,5-Trimethyltriazole
CID 12247338
4,5-Dimethyl-1-propan-2-yltriazole
CID 13718122
5-iodo-1,4-diMethyl-1H-1,2,3-triazole
CID 67465643
1,4-Dimethyl-5-(trifluoromethyl)triazole
CID 20719662
1-Ethyl-5-fluoro-4-(trifluoromethyl)triazole
CID 69381685
1-Butyl-4-fluoro-5-(trifluoromethyl)triazole
CID 69381703
5-Fluoro-3-propyltriazole-4-carbonitrile
CID 69381968
5-Ethyl-4-fluoro-1-propan-2-yltriazole
CID 69382265
1-Hexyl-5-methyl-4-(trifluoromethyl)triazole
CID 69382456
5-Methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
CID 69382496
4-Ethyl-5-fluoro-1-methyltriazole
CID 69382500
4-Methyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382511

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-4-methyltriazole?
The IUPAC name of 1-ethyl-5-fluoro-4-methyltriazole (CID 69382924) is 1-ethyl-5-fluoro-4-methyltriazole.
What is the SMILES notation for 1-ethyl-5-fluoro-4-methyltriazole?
The canonical SMILES for 1-ethyl-5-fluoro-4-methyltriazole is CCn1nnc(C)c1F.
What is the InChIKey of 1-ethyl-5-fluoro-4-methyltriazole?
The InChIKey is CKLQEMDIIHTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-3-9-5(6)4(2)7-8-9/h3H2,1-2H3.
What are the key properties of 1-ethyl-5-fluoro-4-methyltriazole?
1-ethyl-5-fluoro-4-methyltriazole has a molecular weight of 129.14 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-4-methyltriazole is sourced from PubChem (CID 69382924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).