3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine

C16H10N4 — CID 516614

IUPAC3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine
SMILESc1ccc2cc(-c3nnc4ccncc4n3)ccc2c1
InChIInChI=1S/C16H10N4/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15-10-17-8-7-14(15)19-20-16/h1-10H
InChIKeyXNJVTIPYRKIRNL-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.24
Rot. Bonds1

About 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine

3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine (PubChem CID 516614) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine.

Molecular Properties

Compound Name3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine
PubChem CID516614
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine
SMILESc1ccc2cc(-c3nnc4ccncc4n3)ccc2c1
InChIInChI=1S/C16H10N4/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15-10-17-8-7-14(15)19-20-16/h1-10H
InChIKeyXNJVTIPYRKIRNL-UHFFFAOYSA-N
XLogP3.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine?
The IUPAC name of 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine (CID 516614) is 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine.
What is the SMILES notation for 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine?
The canonical SMILES for 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine is c1ccc2cc(-c3nnc4ccncc4n3)ccc2c1.
What is the InChIKey of 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine?
The InChIKey is XNJVTIPYRKIRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c1-2-4-12-9-13(6-5-11(12)3-1)16-18-15-10-17-8-7-14(15)19-20-16/h1-10H.
What are the key properties of 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine?
3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine has a molecular weight of 258.28 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylpyrido[3,4-e][1,2,4]triazine is sourced from PubChem (CID 516614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).