5-fluoro-4-methyl-1-propyltriazole

C6H10FN3 — CID 69386394

IUPAC5-fluoro-4-methyl-1-propyltriazole
SMILESCCCn1nnc(C)c1F
InChIInChI=1S/C6H10FN3/c1-3-4-10-6(7)5(2)8-9-10/h3-4H2,1-2H3
InChIKeyNFGILKKBIOBKOE-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.14
Rot. Bonds2

About 5-fluoro-4-methyl-1-propyltriazole

5-fluoro-4-methyl-1-propyltriazole (PubChem CID 69386394) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 5-fluoro-4-methyl-1-propyltriazole.

Molecular Properties

Compound Name5-fluoro-4-methyl-1-propyltriazole
PubChem CID69386394
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name5-fluoro-4-methyl-1-propyltriazole
SMILESCCCn1nnc(C)c1F
InChIInChI=1S/C6H10FN3/c1-3-4-10-6(7)5(2)8-9-10/h3-4H2,1-2H3
InChIKeyNFGILKKBIOBKOE-UHFFFAOYSA-N
XLogP1.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methyl-1-propyltriazole?
The IUPAC name of 5-fluoro-4-methyl-1-propyltriazole (CID 69386394) is 5-fluoro-4-methyl-1-propyltriazole.
What is the SMILES notation for 5-fluoro-4-methyl-1-propyltriazole?
The canonical SMILES for 5-fluoro-4-methyl-1-propyltriazole is CCCn1nnc(C)c1F.
What is the InChIKey of 5-fluoro-4-methyl-1-propyltriazole?
The InChIKey is NFGILKKBIOBKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-3-4-10-6(7)5(2)8-9-10/h3-4H2,1-2H3.
What are the key properties of 5-fluoro-4-methyl-1-propyltriazole?
5-fluoro-4-methyl-1-propyltriazole has a molecular weight of 143.16 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methyl-1-propyltriazole is sourced from PubChem (CID 69386394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).