3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole

C9H15FN4 — CID 130787770

IUPAC3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C(C)(F)C1CCCN1
InChIInChI=1S/C9H15FN4/c1-9(10,7-4-3-5-11-7)8-13-12-6-14(8)2/h6-7,11H,3-5H2,1-2H3
InChIKeyRXGUEIIGPNTMNB-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.75
Rot. Bonds2

About 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole

3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole (PubChem CID 130787770) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole
PubChem CID130787770
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C(C)(F)C1CCCN1
InChIInChI=1S/C9H15FN4/c1-9(10,7-4-3-5-11-7)8-13-12-6-14(8)2/h6-7,11H,3-5H2,1-2H3
InChIKeyRXGUEIIGPNTMNB-UHFFFAOYSA-N
XLogP0.75
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole (CID 130787770) is 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole is Cn1cnnc1C(C)(F)C1CCCN1.
What is the InChIKey of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole?
The InChIKey is RXGUEIIGPNTMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-9(10,7-4-3-5-11-7)8-13-12-6-14(8)2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole?
3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole has a molecular weight of 198.24 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoro-1-pyrrolidin-2-ylethyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 130787770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).