5-chloro-6-naphthalen-2-yl-1,2,4-triazine

C13H8ClN3 — CID 116822943

IUPAC5-chloro-6-naphthalen-2-yl-1,2,4-triazine
SMILESClc1ncnnc1-c1ccc2ccccc2c1
InChIInChI=1S/C13H8ClN3/c14-13-12(17-16-8-15-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyGORXQDAHPOYETA-UHFFFAOYSA-N
MW241.68 g/mol
LogP3.35
Rot. Bonds1

About 5-chloro-6-naphthalen-2-yl-1,2,4-triazine

5-chloro-6-naphthalen-2-yl-1,2,4-triazine (PubChem CID 116822943) has the molecular formula C13H8ClN3 and a molecular weight of 241.68 g/mol. Its IUPAC name is 5-chloro-6-naphthalen-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-6-naphthalen-2-yl-1,2,4-triazine
PubChem CID116822943
Molecular FormulaC13H8ClN3
Molecular Weight241.68 g/mol
Exact Mass241.04
IUPAC Name5-chloro-6-naphthalen-2-yl-1,2,4-triazine
SMILESClc1ncnnc1-c1ccc2ccccc2c1
InChIInChI=1S/C13H8ClN3/c14-13-12(17-16-8-15-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyGORXQDAHPOYETA-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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Related Compounds

4-naphthalen-2-ylquinazoline
CID 58881337
3-chloro-5-naphthalen-2-ylpyridazine-4-carboxylic acid
CID 82036502
2-chloro-3-naphthalen-2-ylbenzo[f]quinoxaline
CID 134182583
2-[2-[4-(4-chlorophenyl)phenyl]phenyl]naphthalene
CID 178067173
2-chloro-4-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 175930294
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
CID 59999905
2-(3,5-dipyridin-2-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 118582331
4-(4-chlorophenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 141478206
2-chloro-3-(3-naphthalen-2-ylnaphthalen-2-yl)naphthalene
CID 86035630
1-chloro-4-quinolin-6-ylphthalazine
CID 81230738
4-chloro-1-naphthalen-2-yl-6-(2,3,4,5,6-pentadeuteriophenyl)phthalazine
CID 142505072
2-chloro-4-(2-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171731283

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-naphthalen-2-yl-1,2,4-triazine?
The IUPAC name of 5-chloro-6-naphthalen-2-yl-1,2,4-triazine (CID 116822943) is 5-chloro-6-naphthalen-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-6-naphthalen-2-yl-1,2,4-triazine?
The canonical SMILES for 5-chloro-6-naphthalen-2-yl-1,2,4-triazine is Clc1ncnnc1-c1ccc2ccccc2c1.
What is the InChIKey of 5-chloro-6-naphthalen-2-yl-1,2,4-triazine?
The InChIKey is GORXQDAHPOYETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3/c14-13-12(17-16-8-15-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of 5-chloro-6-naphthalen-2-yl-1,2,4-triazine?
5-chloro-6-naphthalen-2-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-6-naphthalen-2-yl-1,2,4-triazine is sourced from PubChem (CID 116822943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).