5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole

C5H6FN3 — CID 67571187

IUPAC5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
SMILESFCC=Cc1ncn[nH]1
InChIInChI=1S/C5H6FN3/c6-3-1-2-5-7-4-8-9-5/h1-2,4H,3H2,(H,7,8,9)
InChIKeyPUNAVHKKNBMDKN-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.79
Rot. Bonds2

About 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole

5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole (PubChem CID 67571187) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
PubChem CID67571187
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
SMILESFCC=Cc1ncn[nH]1
InChIInChI=1S/C5H6FN3/c6-3-1-2-5-7-4-8-9-5/h1-2,4H,3H2,(H,7,8,9)
InChIKeyPUNAVHKKNBMDKN-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Ethenyl-1H-1,2,4-triazole
CID 19004185
3-Allyl-1,2,4-triazole
CID 54043543
[1-fluoro-3-(1H-1,2,4-triazol-5-yl)prop-2-enyl]phosphonic acid
CID 54262964
[(E)-1-fluoro-3-(1H-1,2,4-triazol-5-yl)prop-2-enyl]phosphonic acid
CID 67571182
5-[(E)-3-fluoroprop-1-enyl]-1H-1,2,4-triazole
CID 88290905
5-[(Z)-1-chloro-3,3,3-trifluoroprop-1-enyl]-1H-1,2,4-triazole
CID 153410366
2-(1H-1,2,4-triazol-5-yl)ethenone
CID 22708687
5-hex-1-enyl-1H-1,2,4-triazole
CID 54111576
5-ethenyl-1H-1,2,4-triazol-4-ium
CID 60052707
4-[(E)-2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-thiatriazole
CID 67418560
4-[2-(1H-1,2,4-triazol-5-yl)ethenyl]-1,2,3,5-thiatriazole
CID 67418561
dihydroxy(oxo)phosphanium;5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole
CID 67571186

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole (CID 67571187) is 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole is FCC=Cc1ncn[nH]1.
What is the InChIKey of 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
The InChIKey is PUNAVHKKNBMDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c6-3-1-2-5-7-4-8-9-5/h1-2,4H,3H2,(H,7,8,9).
What are the key properties of 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole?
5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole has a molecular weight of 127.12 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroprop-1-enyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67571187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).