5-chloro-3-naphthalen-1-yl-1,2,4-triazine

C13H8ClN3 — CID 116823814

IUPAC5-chloro-3-naphthalen-1-yl-1,2,4-triazine
SMILESClc1cnnc(-c2cccc3ccccc23)n1
InChIInChI=1S/C13H8ClN3/c14-12-8-15-17-13(16-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyJRERCVPAZXLUPK-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 5-chloro-3-naphthalen-1-yl-1,2,4-triazine

5-chloro-3-naphthalen-1-yl-1,2,4-triazine (PubChem CID 116823814) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-3-naphthalen-1-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-naphthalen-1-yl-1,2,4-triazine
PubChem CID116823814
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name5-chloro-3-naphthalen-1-yl-1,2,4-triazine
SMILESClc1cnnc(-c2cccc3ccccc23)n1
InChIInChI=1S/C13H8ClN3/c14-12-8-15-17-13(16-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H
InChIKeyJRERCVPAZXLUPK-UHFFFAOYSA-N
XLogP3.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-naphthalen-1-yl-1,2,4-triazine?
The IUPAC name of 5-chloro-3-naphthalen-1-yl-1,2,4-triazine (CID 116823814) is 5-chloro-3-naphthalen-1-yl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-naphthalen-1-yl-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-naphthalen-1-yl-1,2,4-triazine is Clc1cnnc(-c2cccc3ccccc23)n1.
What is the InChIKey of 5-chloro-3-naphthalen-1-yl-1,2,4-triazine?
The InChIKey is JRERCVPAZXLUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-12-8-15-17-13(16-12)11-7-3-5-9-4-1-2-6-10(9)11/h1-8H.
What are the key properties of 5-chloro-3-naphthalen-1-yl-1,2,4-triazine?
5-chloro-3-naphthalen-1-yl-1,2,4-triazine has a molecular weight of 241.68 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-naphthalen-1-yl-1,2,4-triazine is sourced from PubChem (CID 116823814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).