3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine

C10H8N8 — CID 3838266

IUPAC3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2cnccn2)nnc1-c1cnccn1
InChIInChI=1S/C10H8N8/c11-18-9(7-5-12-1-3-14-7)16-17-10(18)8-6-13-2-4-15-8/h1-6H,11H2
InChIKeyGRLYZUZCKLCCCB-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.09
Rot. Bonds2

About 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine

3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine (PubChem CID 3838266) has the molecular formula C10H8N8 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine
PubChem CID3838266
Molecular FormulaC10H8N8
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2cnccn2)nnc1-c1cnccn1
InChIInChI=1S/C10H8N8/c11-18-9(7-5-12-1-3-14-7)16-17-10(18)8-6-13-2-4-15-8/h1-6H,11H2
InChIKeyGRLYZUZCKLCCCB-UHFFFAOYSA-N
XLogP-0.09
TPSA108.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine (CID 3838266) is 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine is Nn1c(-c2cnccn2)nnc1-c1cnccn1.
What is the InChIKey of 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine?
The InChIKey is GRLYZUZCKLCCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N8/c11-18-9(7-5-12-1-3-14-7)16-17-10(18)8-6-13-2-4-15-8/h1-6H,11H2.
What are the key properties of 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine?
3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine has a molecular weight of 240.23 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(pyrazin-2-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 3838266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).