3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine

C16H10N8 — CID 57485918

IUPAC3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
SMILESc1cc(-c2cccc(-c3nccnn3)n2)nc(-c2nccnn2)c1
InChIInChI=1S/C16H10N8/c1-3-11(21-13(5-1)15-17-7-9-19-23-15)12-4-2-6-14(22-12)16-18-8-10-20-24-16/h1-10H
InChIKeyMHLGREQIFCEDCL-UHFFFAOYSA-N
MW314.31 g/mol
LogP1.85
Rot. Bonds3

About 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine

3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine (PubChem CID 57485918) has the molecular formula C16H10N8 and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine.

Molecular Properties

Compound Name3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
PubChem CID57485918
Molecular FormulaC16H10N8
Molecular Weight314.31 g/mol
Exact Mass314.10
IUPAC Name3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine
SMILESc1cc(-c2cccc(-c3nccnn3)n2)nc(-c2nccnn2)c1
InChIInChI=1S/C16H10N8/c1-3-11(21-13(5-1)15-17-7-9-19-23-15)12-4-2-6-14(22-12)16-18-8-10-20-24-16/h1-10H
InChIKeyMHLGREQIFCEDCL-UHFFFAOYSA-N
XLogP1.85
TPSA103.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The IUPAC name of 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine (CID 57485918) is 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine.
What is the SMILES notation for 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The canonical SMILES for 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine is c1cc(-c2cccc(-c3nccnn3)n2)nc(-c2nccnn2)c1.
What is the InChIKey of 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
The InChIKey is MHLGREQIFCEDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N8/c1-3-11(21-13(5-1)15-17-7-9-19-23-15)12-4-2-6-14(22-12)16-18-8-10-20-24-16/h1-10H.
What are the key properties of 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine?
3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine has a molecular weight of 314.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(1,2,4-triazin-3-yl)-2-pyridinyl]-2-pyridinyl]-1,2,4-triazine is sourced from PubChem (CID 57485918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).