1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine

C13H16FN5 — CID 28809004

IUPAC1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine
SMILESCn1c(-c2ccccc2F)nnc1N1CCNCC1
InChIInChI=1S/C13H16FN5/c1-18-12(10-4-2-3-5-11(10)14)16-17-13(18)19-8-6-15-7-9-19/h2-5,15H,6-9H2,1H3
InChIKeyIEUCDXOHAHTGKD-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.03
Rot. Bonds2

About 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine

1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine (PubChem CID 28809004) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine.

Molecular Properties

Compound Name1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine
PubChem CID28809004
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC Name1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine
SMILESCn1c(-c2ccccc2F)nnc1N1CCNCC1
InChIInChI=1S/C13H16FN5/c1-18-12(10-4-2-3-5-11(10)14)16-17-13(18)19-8-6-15-7-9-19/h2-5,15H,6-9H2,1H3
InChIKeyIEUCDXOHAHTGKD-UHFFFAOYSA-N
XLogP1.03
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine?
The IUPAC name of 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine (CID 28809004) is 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine.
What is the SMILES notation for 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine?
The canonical SMILES for 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine is Cn1c(-c2ccccc2F)nnc1N1CCNCC1.
What is the InChIKey of 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine?
The InChIKey is IEUCDXOHAHTGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c1-18-12(10-4-2-3-5-11(10)14)16-17-13(18)19-8-6-15-7-9-19/h2-5,15H,6-9H2,1H3.
What are the key properties of 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine?
1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine has a molecular weight of 261.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]piperazine is sourced from PubChem (CID 28809004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).