5-chloro-3-phenyl-1,2,4-triazine

C9H6ClN3 — CID 116823690

IUPAC5-chloro-3-phenyl-1,2,4-triazine
SMILESClc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C9H6ClN3/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h1-6H
InChIKeyPJVRJMKPTRVCAT-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.19
Rot. Bonds1

About 5-chloro-3-phenyl-1,2,4-triazine

5-chloro-3-phenyl-1,2,4-triazine (PubChem CID 116823690) has the molecular formula C9H6ClN3 and a molecular weight of 191.62 g/mol. Its IUPAC name is 5-chloro-3-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-phenyl-1,2,4-triazine
PubChem CID116823690
Molecular FormulaC9H6ClN3
Molecular Weight191.62 g/mol
Exact Mass191.03
IUPAC Name5-chloro-3-phenyl-1,2,4-triazine
SMILESClc1cnnc(-c2ccccc2)n1
InChIInChI=1S/C9H6ClN3/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h1-6H
InChIKeyPJVRJMKPTRVCAT-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 5-chloro-3-phenyl-1,2,4-triazine?
The IUPAC name of 5-chloro-3-phenyl-1,2,4-triazine (CID 116823690) is 5-chloro-3-phenyl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-phenyl-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-phenyl-1,2,4-triazine is Clc1cnnc(-c2ccccc2)n1.
What is the InChIKey of 5-chloro-3-phenyl-1,2,4-triazine?
The InChIKey is PJVRJMKPTRVCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3/c10-8-6-11-13-9(12-8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 5-chloro-3-phenyl-1,2,4-triazine?
5-chloro-3-phenyl-1,2,4-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 5-chloro-3-phenyl-1,2,4-triazine is sourced from PubChem (CID 116823690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).