4,5-dichlorotriazine;toluene

C10H9Cl2N3 — CID 137410979

IUPAC4,5-dichlorotriazine;toluene
SMILESCc1ccccc1.Clc1cnnnc1Cl
InChIInChI=1S/C7H8.C3HCl2N3/c1-7-5-3-2-4-6-7;4-2-1-6-8-7-3(2)5/h2-6H,1H3;1H
InChIKeySNFSPBHUHYDBOB-UHFFFAOYSA-N
MW242.11 g/mol
LogP3.17
Rot. Bonds

About 4,5-dichlorotriazine;toluene

4,5-dichlorotriazine;toluene (PubChem CID 137410979) has the molecular formula C10H9Cl2N3 and a molecular weight of 242.11 g/mol. Its IUPAC name is 4,5-dichlorotriazine;toluene.

Molecular Properties

Compound Name4,5-dichlorotriazine;toluene
PubChem CID137410979
Molecular FormulaC10H9Cl2N3
Molecular Weight242.11 g/mol
Exact Mass241.02
IUPAC Name4,5-dichlorotriazine;toluene
SMILESCc1ccccc1.Clc1cnnnc1Cl
InChIInChI=1S/C7H8.C3HCl2N3/c1-7-5-3-2-4-6-7;4-2-1-6-8-7-3(2)5/h2-6H,1H3;1H
InChIKeySNFSPBHUHYDBOB-UHFFFAOYSA-N
XLogP3.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichlorotriazine;toluene?
The IUPAC name of 4,5-dichlorotriazine;toluene (CID 137410979) is 4,5-dichlorotriazine;toluene.
What is the SMILES notation for 4,5-dichlorotriazine;toluene?
The canonical SMILES for 4,5-dichlorotriazine;toluene is Cc1ccccc1.Clc1cnnnc1Cl.
What is the InChIKey of 4,5-dichlorotriazine;toluene?
The InChIKey is SNFSPBHUHYDBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3HCl2N3/c1-7-5-3-2-4-6-7;4-2-1-6-8-7-3(2)5/h2-6H,1H3;1H.
What are the key properties of 4,5-dichlorotriazine;toluene?
4,5-dichlorotriazine;toluene has a molecular weight of 242.11 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichlorotriazine;toluene is sourced from PubChem (CID 137410979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).