5-(3-fluoropropyl)-1H-1,2,4-triazole

C5H8FN3 — CID 67571226

IUPAC5-(3-fluoropropyl)-1H-1,2,4-triazole
SMILESFCCCc1ncn[nH]1
InChIInChI=1S/C5H8FN3/c6-3-1-2-5-7-4-8-9-5/h4H,1-3H2,(H,7,8,9)
InChIKeyIJGWYZPLZBNKDI-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.71
Rot. Bonds3

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

5-(3-fluoropropyl)-1H-1,2,4-triazole (PubChem CID 67571226) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-fluoropropyl)-1H-1,2,4-triazole
PubChem CID67571226
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-(3-fluoropropyl)-1H-1,2,4-triazole
SMILESFCCCc1ncn[nH]1
InChIInChI=1S/C5H8FN3/c6-3-1-2-5-7-4-8-9-5/h4H,1-3H2,(H,7,8,9)
InChIKeyIJGWYZPLZBNKDI-UHFFFAOYSA-N
XLogP0.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(3-fluoropropyl)-1H-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

1H-pyrazol-1-ylmethanol
CID 305560
3-Ethyl-1,2,4(1H)-triazole
CID 23891
2-(4H-1,2,4-triazol-3-yl)acetonitrile
CID 1382059
3-Isopropyl-1H-1,2,4-triazole
CID 21547708
s-Triazole, 3-propyl-
CID 519726
2-(1H-1,2,4-triazol-5-yl)ethan-1-amine dihydrochloride
CID 19047800
3-cyclopropyl-1H-1,2,4-triazole
CID 19608838
Iem 760
CID 193439
3-tert-butyl-1H-1,2,4-triazole
CID 15745252
3-Cyclobutyl-1H-1,2,4-triazole
CID 19067937
3-(difluoromethyl)-1H-1,2,4-triazole
CID 53417266
2-(4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 54595645

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(3-fluoropropyl)-1H-1,2,4-triazole (CID 67571226) is 5-(3-fluoropropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(3-fluoropropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(3-fluoropropyl)-1H-1,2,4-triazole is FCCCc1ncn[nH]1.
What is the InChIKey of 5-(3-fluoropropyl)-1H-1,2,4-triazole?
The InChIKey is IJGWYZPLZBNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c6-3-1-2-5-7-4-8-9-5/h4H,1-3H2,(H,7,8,9).
What are the key properties of 5-(3-fluoropropyl)-1H-1,2,4-triazole?
5-(3-fluoropropyl)-1H-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67571226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).