5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole

C5H6FN3 — CID 177021723

IUPAC5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)n1ncnc1F
InChIInChI=1S/C5H6FN3/c1-4(2)9-5(6)7-3-8-9/h3H,1H2,2H3
InChIKeyHVLNAYQYRRUVSQ-UHFFFAOYSA-N
MW127.12 g/mol
LogP0.91
Rot. Bonds1

About 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole

5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole (PubChem CID 177021723) has the molecular formula C5H6FN3 and a molecular weight of 127.12 g/mol. Its IUPAC name is 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole
PubChem CID177021723
Molecular FormulaC5H6FN3
Molecular Weight127.12 g/mol
Exact Mass127.05
IUPAC Name5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole
SMILESC=C(C)n1ncnc1F
InChIInChI=1S/C5H6FN3/c1-4(2)9-5(6)7-3-8-9/h3H,1H2,2H3
InChIKeyHVLNAYQYRRUVSQ-UHFFFAOYSA-N
XLogP0.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-isopropenyl-1,2,4-tri-azole
CID 21593524
1-Pent-1-en-2-yl-1,2,4-triazole
CID 20397459
1-But-2-en-2-yl-1,2,4-triazole
CID 91340309
1-Penta-2,4-dien-2-yl-1,2,4-triazole
CID 123196107
1-Penta-1,3-dien-3-yl-1,2,4-triazole
CID 123631771
1-(3-Methylbut-2-en-2-yl)-1,2,4-triazole
CID 130178180
4-[(Z)-but-2-en-2-yl]-1,2,4-triazole
CID 142062885
1-[(2E)-penta-2,4-dien-2-yl]-1,2,4-triazole
CID 142802630
N-(2-prop-1-en-2-yl-1,2,4-triazol-3-yl)methanimine
CID 143935792
2-(1,2,4-Triazol-1-yl)prop-2-enenitrile
CID 153910064
1-[(2E,4Z)-hexa-2,4-dien-2-yl]-1,2,4-triazole
CID 164135175
1-(3-Methylbut-1-en-2-yl)-1,2,4-triazole
CID 170572005

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole?
The IUPAC name of 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole (CID 177021723) is 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole?
The canonical SMILES for 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole is C=C(C)n1ncnc1F.
What is the InChIKey of 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole?
The InChIKey is HVLNAYQYRRUVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3/c1-4(2)9-5(6)7-3-8-9/h3H,1H2,2H3.
What are the key properties of 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole?
5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole has a molecular weight of 127.12 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-prop-1-en-2-yl-1,2,4-triazole is sourced from PubChem (CID 177021723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).