5-butyl-4-fluoro-1-propyltriazole

C9H16FN3 — CID 69382528

IUPAC5-butyl-4-fluoro-1-propyltriazole
SMILESCCCCc1c(F)nnn1CCC
InChIInChI=1S/C9H16FN3/c1-3-5-6-8-9(10)11-12-13(8)7-4-2/h3-7H2,1-2H3
InChIKeyLFGMWQVFNPJQSG-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.17
Rot. Bonds5

About 5-butyl-4-fluoro-1-propyltriazole

5-butyl-4-fluoro-1-propyltriazole (PubChem CID 69382528) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 5-butyl-4-fluoro-1-propyltriazole.

Molecular Properties

Compound Name5-butyl-4-fluoro-1-propyltriazole
PubChem CID69382528
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name5-butyl-4-fluoro-1-propyltriazole
SMILESCCCCc1c(F)nnn1CCC
InChIInChI=1S/C9H16FN3/c1-3-5-6-8-9(10)11-12-13(8)7-4-2/h3-7H2,1-2H3
InChIKeyLFGMWQVFNPJQSG-UHFFFAOYSA-N
XLogP2.17
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-butyl-4-chloro-1-propyltriazole
CID 69384361
1-butyl-4,5-difluorotriazole
CID 69383142
4-butyl-5-methyl-1-propyltriazole
CID 69381876
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
3-[5-butyl-4-(hydroxymethyl)triazol-1-yl]propan-1-ol
CID 82211464
5-butyl-1-pentyltriazole-4-carboxylic acid
CID 82205585
1,5-dibutyl-4-(2,2-dimethylpropyl)triazole
CID 69384495
5-chloro-4-fluoro-1-hexyltriazole
CID 69386198
5-butyl-4-(2,2-dimethylpropyl)-1-hexyltriazole
CID 69383681
1-butyl-4-(1,1-difluoropropyl)-5-pentyltriazole
CID 155313395
5-ethyl-1-propyltriazol-4-amine
CID 79542542
5-butyl-4-tert-butyl-1-ethyltriazole
CID 69386052

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-fluoro-1-propyltriazole?
The IUPAC name of 5-butyl-4-fluoro-1-propyltriazole (CID 69382528) is 5-butyl-4-fluoro-1-propyltriazole.
What is the SMILES notation for 5-butyl-4-fluoro-1-propyltriazole?
The canonical SMILES for 5-butyl-4-fluoro-1-propyltriazole is CCCCc1c(F)nnn1CCC.
What is the InChIKey of 5-butyl-4-fluoro-1-propyltriazole?
The InChIKey is LFGMWQVFNPJQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-3-5-6-8-9(10)11-12-13(8)7-4-2/h3-7H2,1-2H3.
What are the key properties of 5-butyl-4-fluoro-1-propyltriazole?
5-butyl-4-fluoro-1-propyltriazole has a molecular weight of 185.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-fluoro-1-propyltriazole is sourced from PubChem (CID 69382528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).