5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole

C9H15FN4 — CID 106640178

IUPAC5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CC(F)C1CCCN1
InChIInChI=1S/C9H15FN4/c1-14-9(12-6-13-14)5-7(10)8-3-2-4-11-8/h6-8,11H,2-5H2,1H3
InChIKeyAUDNKVLNEGDVDK-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.45
Rot. Bonds3

About 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole

5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole (PubChem CID 106640178) has the molecular formula C9H15FN4 and a molecular weight of 198.24 g/mol. Its IUPAC name is 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
PubChem CID106640178
Molecular FormulaC9H15FN4
Molecular Weight198.24 g/mol
Exact Mass198.13
IUPAC Name5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole
SMILESCn1ncnc1CC(F)C1CCCN1
InChIInChI=1S/C9H15FN4/c1-14-9(12-6-13-14)5-7(10)8-3-2-4-11-8/h6-8,11H,2-5H2,1H3
InChIKeyAUDNKVLNEGDVDK-UHFFFAOYSA-N
XLogP0.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-fluoro-2-(1-propylimidazol-2-yl)ethyl]piperidine
CID 106635030
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methylpyrazole
CID 106640582
1-methyl-5-(1-pyrrolidin-2-ylethylsulfanyl)-1,2,4-triazole
CID 164659526
1,1-difluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 112575472
1-piperidin-2-yl-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 106634605
3-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-propan-2-ylpyrazole
CID 106640361
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
4-(2-fluoro-2-pyrrolidin-2-ylethyl)quinoline
CID 106640524
2-[1-fluoro-2-(1-propan-2-ylpyrazol-3-yl)ethyl]piperidine
CID 106634943
2-chloro-5-[fluoro(pyrrolidin-2-yl)methyl]-1-methylimidazole
CID 164644961
1-cyclooctyl-N-ethyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 80611657
4-[1-fluoro-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 112563844

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole (CID 106640178) is 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole is Cn1ncnc1CC(F)C1CCCN1.
What is the InChIKey of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole?
The InChIKey is AUDNKVLNEGDVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN4/c1-14-9(12-6-13-14)5-7(10)8-3-2-4-11-8/h6-8,11H,2-5H2,1H3.
What are the key properties of 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole?
5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole has a molecular weight of 198.24 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-2-pyrrolidin-2-ylethyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 106640178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).