3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine

C11H13N5S — CID 82479940

IUPAC3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
SMILESc1csc(-c2cnnc(N3CCNCC3)n2)c1
InChIInChI=1S/C11H13N5S/c1-2-10(17-7-1)9-8-13-15-11(14-9)16-5-3-12-4-6-16/h1-2,7-8,12H,3-6H2
InChIKeyLXDJNLCDTUGRTF-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.01
Rot. Bonds2

About 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine

3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine (PubChem CID 82479940) has the molecular formula C11H13N5S and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
PubChem CID82479940
Molecular FormulaC11H13N5S
Molecular Weight247.33 g/mol
Exact Mass247.09
IUPAC Name3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine
SMILESc1csc(-c2cnnc(N3CCNCC3)n2)c1
InChIInChI=1S/C11H13N5S/c1-2-10(17-7-1)9-8-13-15-11(14-9)16-5-3-12-4-6-16/h1-2,7-8,12H,3-6H2
InChIKeyLXDJNLCDTUGRTF-UHFFFAOYSA-N
XLogP1.01
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine?
The IUPAC name of 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine (CID 82479940) is 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine.
What is the SMILES notation for 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine?
The canonical SMILES for 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine is c1csc(-c2cnnc(N3CCNCC3)n2)c1.
What is the InChIKey of 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine?
The InChIKey is LXDJNLCDTUGRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5S/c1-2-10(17-7-1)9-8-13-15-11(14-9)16-5-3-12-4-6-16/h1-2,7-8,12H,3-6H2.
What are the key properties of 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine?
3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine has a molecular weight of 247.33 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-5-thiophen-2-yl-1,2,4-triazine is sourced from PubChem (CID 82479940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).