6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one

C10H7Cl2N3O2 — CID 106517961

IUPAC6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2ccc(Cl)cc2Cl)[nH]c(=O)n1
InChIInChI=1S/C10H7Cl2N3O2/c1-17-10-14-8(13-9(16)15-10)6-3-2-5(11)4-7(6)12/h2-4H,1H3,(H,13,14,15,16)
InChIKeyHBZZBYWEKWMQBT-UHFFFAOYSA-N
MW272.09 g/mol
LogP2.15
Rot. Bonds2

About 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one

6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one (PubChem CID 106517961) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
PubChem CID106517961
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2ccc(Cl)cc2Cl)[nH]c(=O)n1
InChIInChI=1S/C10H7Cl2N3O2/c1-17-10-14-8(13-9(16)15-10)6-3-2-5(11)4-7(6)12/h2-4H,1H3,(H,13,14,15,16)
InChIKeyHBZZBYWEKWMQBT-UHFFFAOYSA-N
XLogP2.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-methylphenyl)-4-methoxy-1H-1,3,5-triazin-2-one
CID 106520374
4-methoxy-6-naphthalen-1-yl-1H-1,3,5-triazin-2-one
CID 106513986
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
methyl 2-(2,4-dichlorophenyl)-1H-imidazole-5-carboxylate
CID 62278570
5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-methoxypyrimidin-4-amine
CID 10149532
2-(2,4-dichlorophenyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975344
2-(4-chloro-2-methoxyphenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136980758
2,4-dichloro-1-(4-chloro-2-methoxyphenyl)benzene
CID 70266325
3-(4-chloro-2-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136873215
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
methyl 5-(2,4-dichlorophenyl)-6-oxo-1H-pyridine-2-carboxylate
CID 133092788
2-(2,5-dichlorophenyl)-5,6-dimethoxy-1H-benzimidazole
CID 63399348

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one (CID 106517961) is 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one is COc1nc(-c2ccc(Cl)cc2Cl)[nH]c(=O)n1.
What is the InChIKey of 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
The InChIKey is HBZZBYWEKWMQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-17-10-14-8(13-9(16)15-10)6-3-2-5(11)4-7(6)12/h2-4H,1H3,(H,13,14,15,16).
What are the key properties of 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one?
6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one has a molecular weight of 272.09 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dichlorophenyl)-4-methoxy-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106517961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).