1-butyl-5-fluoro-1,2,4-triazole

C6H10FN3 — CID 123392640

IUPAC1-butyl-5-fluoro-1,2,4-triazole
SMILESCCCCn1ncnc1F
InChIInChI=1S/C6H10FN3/c1-2-3-4-10-6(7)8-5-9-10/h5H,2-4H2,1H3
InChIKeyJKZIXYYUVXQFGE-UHFFFAOYSA-N
MW143.17 g/mol
LogP1.22
Rot. Bonds3

About 1-butyl-5-fluoro-1,2,4-triazole

1-butyl-5-fluoro-1,2,4-triazole (PubChem CID 123392640) has the molecular formula C6H10FN3 and a molecular weight of 143.17 g/mol. Its IUPAC name is 1-butyl-5-fluoro-1,2,4-triazole.

Molecular Properties

Compound Name1-butyl-5-fluoro-1,2,4-triazole
PubChem CID123392640
Molecular FormulaC6H10FN3
Molecular Weight143.17 g/mol
Exact Mass143.09
IUPAC Name1-butyl-5-fluoro-1,2,4-triazole
SMILESCCCCn1ncnc1F
InChIInChI=1S/C6H10FN3/c1-2-3-4-10-6(7)8-5-9-10/h5H,2-4H2,1H3
InChIKeyJKZIXYYUVXQFGE-UHFFFAOYSA-N
XLogP1.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Triazbutil
CID 27760
1-(propan-2-yl)-1H-1,2,4-triazole
CID 12762443
1-Dodecyl-1H-1,2,4-triazole
CID 13020081
1H-1,2,4-Triazol-3-amine, 1-propyl-
CID 143566
1-Octyl-1,2,4-triazole
CID 4420134
1-pentyl-1H-1,2,4-triazole
CID 14267422
1-tert-butyl-1H-1,2,4-triazole
CID 498453
5-Bromo-1-propyl-1H-1,2,4-triazole
CID 71371139
1-Butyl-1,2,4-triazole
CID 22460
1H-1,2,4-Triazol-5-amine, 1-propyl-
CID 143567
1-Ethyl-1,2,4-triazole
CID 519305
1-butyl-1H-tetrazole
CID 12144386

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-fluoro-1,2,4-triazole?
The IUPAC name of 1-butyl-5-fluoro-1,2,4-triazole (CID 123392640) is 1-butyl-5-fluoro-1,2,4-triazole.
What is the SMILES notation for 1-butyl-5-fluoro-1,2,4-triazole?
The canonical SMILES for 1-butyl-5-fluoro-1,2,4-triazole is CCCCn1ncnc1F.
What is the InChIKey of 1-butyl-5-fluoro-1,2,4-triazole?
The InChIKey is JKZIXYYUVXQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-2-3-4-10-6(7)8-5-9-10/h5H,2-4H2,1H3.
What are the key properties of 1-butyl-5-fluoro-1,2,4-triazole?
1-butyl-5-fluoro-1,2,4-triazole has a molecular weight of 143.17 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-fluoro-1,2,4-triazole is sourced from PubChem (CID 123392640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).