3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine

C11H9N9 — CID 90455960

IUPAC3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cnc(-c2nnc3n2CCN=C3n2cncn2)cn1
InChIInChI=1S/C11H9N9/c1-2-14-8(5-12-1)9-17-18-11-10(15-3-4-19(9)11)20-7-13-6-16-20/h1-2,5-7H,3-4H2
InChIKeyINWKLPFPQDZMDL-UHFFFAOYSA-N
MW267.26 g/mol
LogP-0.36
Rot. Bonds1

About 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine

3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 90455960) has the molecular formula C11H9N9 and a molecular weight of 267.26 g/mol. Its IUPAC name is 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID90455960
Molecular FormulaC11H9N9
Molecular Weight267.26 g/mol
Exact Mass267.10
IUPAC Name3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cnc(-c2nnc3n2CCN=C3n2cncn2)cn1
InChIInChI=1S/C11H9N9/c1-2-14-8(5-12-1)9-17-18-11-10(15-3-4-19(9)11)20-7-13-6-16-20/h1-2,5-7H,3-4H2
InChIKeyINWKLPFPQDZMDL-UHFFFAOYSA-N
XLogP-0.36
TPSA99.56 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 90455960) is 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine is c1cnc(-c2nnc3n2CCN=C3n2cncn2)cn1.
What is the InChIKey of 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is INWKLPFPQDZMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N9/c1-2-14-8(5-12-1)9-17-18-11-10(15-3-4-19(9)11)20-7-13-6-16-20/h1-2,5-7H,3-4H2.
What are the key properties of 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 267.26 g/mol, XLogP of -0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrazin-2-yl-8-(1,2,4-triazol-1-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 90455960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).