1-ethyl-4-fluoro-5-methyltriazole

C5H8FN3 — CID 69382968

IUPAC1-ethyl-4-fluoro-5-methyltriazole
SMILESCCn1nnc(F)c1C
InChIInChI=1S/C5H8FN3/c1-3-9-4(2)5(6)7-8-9/h3H2,1-2H3
InChIKeyKPJISRVKCONCJB-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.75
Rot. Bonds1

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

1-ethyl-4-fluoro-5-methyltriazole (PubChem CID 69382968) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-5-methyltriazole.

Molecular Properties

Compound Name1-ethyl-4-fluoro-5-methyltriazole
PubChem CID69382968
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-ethyl-4-fluoro-5-methyltriazole
SMILESCCn1nnc(F)c1C
InChIInChI=1S/C5H8FN3/c1-3-9-4(2)5(6)7-8-9/h3H2,1-2H3
InChIKeyKPJISRVKCONCJB-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

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Related Compounds

4-iodo-1,5-dimethyl-1H-1,2,3-triazole
CID 71264099
1,4,5-Trimethyltriazole
CID 12247338
4,5-Dimethyl-1-propan-2-yltriazole
CID 13718122
1-Ethyl-5-fluoro-4-(trifluoromethyl)triazole
CID 69381685
1-Butyl-4-fluoro-5-(trifluoromethyl)triazole
CID 69381703
3-Ethyl-5-fluorotriazole-4-carbonitrile
CID 69381924
5-Fluoro-3-propyltriazole-4-carbonitrile
CID 69381968
5-Ethyl-4-fluoro-1-propan-2-yltriazole
CID 69382265
4-Fluoro-5-propan-2-yl-1-propyltriazole
CID 69382444
5-Methyl-1-propan-2-yl-4-(trifluoromethyl)triazole
CID 69382496
4-Methyl-1-propan-2-yl-5-(trifluoromethyl)triazole
CID 69382511
4-Fluoro-5-methyl-1-propan-2-yltriazole
CID 69382805

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-5-methyltriazole?
The IUPAC name of 1-ethyl-4-fluoro-5-methyltriazole (CID 69382968) is 1-ethyl-4-fluoro-5-methyltriazole.
What is the SMILES notation for 1-ethyl-4-fluoro-5-methyltriazole?
The canonical SMILES for 1-ethyl-4-fluoro-5-methyltriazole is CCn1nnc(F)c1C.
What is the InChIKey of 1-ethyl-4-fluoro-5-methyltriazole?
The InChIKey is KPJISRVKCONCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-3-9-4(2)5(6)7-8-9/h3H2,1-2H3.
What are the key properties of 1-ethyl-4-fluoro-5-methyltriazole?
1-ethyl-4-fluoro-5-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-4-fluoro-5-methyltriazole is sourced from PubChem (CID 69382968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).