4-(2-chlorophenyl)triazine

C9H6ClN3 — CID 22902708

IUPAC4-(2-chlorophenyl)triazine
SMILESClc1ccccc1-c1ccnnn1
InChIInChI=1S/C9H6ClN3/c10-8-4-2-1-3-7(8)9-5-6-11-13-12-9/h1-6H
InChIKeyCVAPJXOOQSDCSY-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.19
Rot. Bonds1

About 4-(2-chlorophenyl)triazine

4-(2-chlorophenyl)triazine (PubChem CID 22902708) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 4-(2-chlorophenyl)triazine.

Molecular Properties

Compound Name4-(2-chlorophenyl)triazine
PubChem CID22902708
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name4-(2-chlorophenyl)triazine
SMILESClc1ccccc1-c1ccnnn1
InChIInChI=1S/C9H6ClN3/c10-8-4-2-1-3-7(8)9-5-6-11-13-12-9/h1-6H
InChIKeyCVAPJXOOQSDCSY-UHFFFAOYSA-N
XLogP2.19
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)triazine?
The IUPAC name of 4-(2-chlorophenyl)triazine (CID 22902708) is 4-(2-chlorophenyl)triazine.
What is the SMILES notation for 4-(2-chlorophenyl)triazine?
The canonical SMILES for 4-(2-chlorophenyl)triazine is Clc1ccccc1-c1ccnnn1.
What is the InChIKey of 4-(2-chlorophenyl)triazine?
The InChIKey is CVAPJXOOQSDCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-8-4-2-1-3-7(8)9-5-6-11-13-12-9/h1-6H.
What are the key properties of 4-(2-chlorophenyl)triazine?
4-(2-chlorophenyl)triazine has a molecular weight of 191.62 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)triazine is sourced from PubChem (CID 22902708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).