1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine

C9H16FN5 — CID 84679764

IUPAC1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine
SMILESFCCn1nncc1CN1CCNCC1
InChIInChI=1S/C9H16FN5/c10-1-4-15-9(7-12-13-15)8-14-5-2-11-3-6-14/h7,11H,1-6,8H2
InChIKeyGYFLANUIXNPPQF-UHFFFAOYSA-N
MW213.26 g/mol
LogP-0.35
Rot. Bonds4

About 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine

1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine (PubChem CID 84679764) has the molecular formula C9H16FN5 and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine
PubChem CID84679764
Molecular FormulaC9H16FN5
Molecular Weight213.26 g/mol
Exact Mass213.14
IUPAC Name1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine
SMILESFCCn1nncc1CN1CCNCC1
InChIInChI=1S/C9H16FN5/c10-1-4-15-9(7-12-13-15)8-14-5-2-11-3-6-14/h7,11H,1-6,8H2
InChIKeyGYFLANUIXNPPQF-UHFFFAOYSA-N
XLogP-0.35
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine (CID 84679764) is 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine is FCCn1nncc1CN1CCNCC1.
What is the InChIKey of 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine?
The InChIKey is GYFLANUIXNPPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN5/c10-1-4-15-9(7-12-13-15)8-14-5-2-11-3-6-14/h7,11H,1-6,8H2.
What are the key properties of 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine?
1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine has a molecular weight of 213.26 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluoroethyl)triazol-4-yl]methyl]piperazine is sourced from PubChem (CID 84679764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).