8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride

C9H14Cl2N6 — CID 19969670

IUPAC8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride
SMILESCl.Cl.c1cn2ncnc2c(N2CCNCC2)n1
InChIInChI=1S/C9H12N6.2ClH/c1-4-14(5-2-10-1)8-9-12-7-13-15(9)6-3-11-8;;/h3,6-7,10H,1-2,4-5H2;2*1H
InChIKeyLVUTXCQJTYUOFF-UHFFFAOYSA-N
MW277.16 g/mol
LogP0.38
Rot. Bonds1

About 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride

8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride (PubChem CID 19969670) has the molecular formula C9H14Cl2N6 and a molecular weight of 277.16 g/mol. Its IUPAC name is 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride
PubChem CID19969670
Molecular FormulaC9H14Cl2N6
Molecular Weight277.16 g/mol
Exact Mass276.07
IUPAC Name8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride
SMILESCl.Cl.c1cn2ncnc2c(N2CCNCC2)n1
InChIInChI=1S/C9H12N6.2ClH/c1-4-14(5-2-10-1)8-9-12-7-13-15(9)6-3-11-8;;/h3,6-7,10H,1-2,4-5H2;2*1H
InChIKeyLVUTXCQJTYUOFF-UHFFFAOYSA-N
XLogP0.38
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride?
The IUPAC name of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride (CID 19969670) is 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride.
What is the SMILES notation for 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride?
The canonical SMILES for 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride is Cl.Cl.c1cn2ncnc2c(N2CCNCC2)n1.
What is the InChIKey of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride?
The InChIKey is LVUTXCQJTYUOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6.2ClH/c1-4-14(5-2-10-1)8-9-12-7-13-15(9)6-3-11-8;;/h3,6-7,10H,1-2,4-5H2;2*1H.
What are the key properties of 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride?
8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride has a molecular weight of 277.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-piperazin-1-yl-[1,2,4]triazolo[1,5-a]pyrazine;dihydrochloride is sourced from PubChem (CID 19969670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).