5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine

C16H11Cl2N3O — CID 3053063

IUPAC5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3O/c1-22-16-19-14(10-2-6-12(17)7-3-10)15(20-21-16)11-4-8-13(18)9-5-11/h2-9H,1H3
InChIKeyOBABGBDDCPDKMV-UHFFFAOYSA-N
MW332.19 g/mol
LogP4.52
Rot. Bonds3

About 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine

5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine (PubChem CID 3053063) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine.

Molecular Properties

Compound Name5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine
PubChem CID3053063
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine
SMILESCOc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C16H11Cl2N3O/c1-22-16-19-14(10-2-6-12(17)7-3-10)15(20-21-16)11-4-8-13(18)9-5-11/h2-9H,1H3
InChIKeyOBABGBDDCPDKMV-UHFFFAOYSA-N
XLogP4.52
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
The IUPAC name of 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine (CID 3053063) is 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine.
What is the SMILES notation for 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
The canonical SMILES for 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine is COc1nnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
The InChIKey is OBABGBDDCPDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c1-22-16-19-14(10-2-6-12(17)7-3-10)15(20-21-16)11-4-8-13(18)9-5-11/h2-9H,1H3.
What are the key properties of 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine?
5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine has a molecular weight of 332.19 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine is sourced from PubChem (CID 3053063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).