4,5-dichloro-6-(2,3-dimethylphenyl)triazine

C11H9Cl2N3 — CID 87920683

IUPAC4,5-dichloro-6-(2,3-dimethylphenyl)triazine
SMILESCc1cccc(-c2nnnc(Cl)c2Cl)c1C
InChIInChI=1S/C11H9Cl2N3/c1-6-4-3-5-8(7(6)2)10-9(12)11(13)15-16-14-10/h3-5H,1-2H3
InChIKeySBMTZIOVDAESTK-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.46
Rot. Bonds1

About 4,5-dichloro-6-(2,3-dimethylphenyl)triazine

4,5-dichloro-6-(2,3-dimethylphenyl)triazine (PubChem CID 87920683) has the molecular formula C11H9Cl2N3 and a molecular weight of 254.12 g/mol. Its IUPAC name is 4,5-dichloro-6-(2,3-dimethylphenyl)triazine.

Molecular Properties

Compound Name4,5-dichloro-6-(2,3-dimethylphenyl)triazine
PubChem CID87920683
Molecular FormulaC11H9Cl2N3
Molecular Weight254.12 g/mol
Exact Mass253.02
IUPAC Name4,5-dichloro-6-(2,3-dimethylphenyl)triazine
SMILESCc1cccc(-c2nnnc(Cl)c2Cl)c1C
InChIInChI=1S/C11H9Cl2N3/c1-6-4-3-5-8(7(6)2)10-9(12)11(13)15-16-14-10/h3-5H,1-2H3
InChIKeySBMTZIOVDAESTK-UHFFFAOYSA-N
XLogP3.46
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-(2,3-dimethylphenyl)triazine?
The IUPAC name of 4,5-dichloro-6-(2,3-dimethylphenyl)triazine (CID 87920683) is 4,5-dichloro-6-(2,3-dimethylphenyl)triazine.
What is the SMILES notation for 4,5-dichloro-6-(2,3-dimethylphenyl)triazine?
The canonical SMILES for 4,5-dichloro-6-(2,3-dimethylphenyl)triazine is Cc1cccc(-c2nnnc(Cl)c2Cl)c1C.
What is the InChIKey of 4,5-dichloro-6-(2,3-dimethylphenyl)triazine?
The InChIKey is SBMTZIOVDAESTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3/c1-6-4-3-5-8(7(6)2)10-9(12)11(13)15-16-14-10/h3-5H,1-2H3.
What are the key properties of 4,5-dichloro-6-(2,3-dimethylphenyl)triazine?
4,5-dichloro-6-(2,3-dimethylphenyl)triazine has a molecular weight of 254.12 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-(2,3-dimethylphenyl)triazine is sourced from PubChem (CID 87920683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).