4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine

C14H9Cl2N3O — CID 141066405

IUPAC4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine
SMILESCOc1ccc(-c2nnnc(Cl)c2Cl)c2ccccc12
InChIInChI=1S/C14H9Cl2N3O/c1-20-11-7-6-10(8-4-2-3-5-9(8)11)13-12(15)14(16)18-19-17-13/h2-7H,1H3
InChIKeyDWQCRBDQOPBTOS-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.01
Rot. Bonds2

About 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine

4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine (PubChem CID 141066405) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine.

Molecular Properties

Compound Name4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine
PubChem CID141066405
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine
SMILESCOc1ccc(-c2nnnc(Cl)c2Cl)c2ccccc12
InChIInChI=1S/C14H9Cl2N3O/c1-20-11-7-6-10(8-4-2-3-5-9(8)11)13-12(15)14(16)18-19-17-13/h2-7H,1H3
InChIKeyDWQCRBDQOPBTOS-UHFFFAOYSA-N
XLogP4.01
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine?
The IUPAC name of 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine (CID 141066405) is 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine.
What is the SMILES notation for 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine?
The canonical SMILES for 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine is COc1ccc(-c2nnnc(Cl)c2Cl)c2ccccc12.
What is the InChIKey of 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine?
The InChIKey is DWQCRBDQOPBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c1-20-11-7-6-10(8-4-2-3-5-9(8)11)13-12(15)14(16)18-19-17-13/h2-7H,1H3.
What are the key properties of 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine?
4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine has a molecular weight of 306.15 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-(4-methoxynaphthalen-1-yl)triazine is sourced from PubChem (CID 141066405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).