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

C10H7Cl2N3O2 — CID 15434937

IUPAC2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one
SMILESCOc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)n1
InChIInChI=1S/C10H7Cl2N3O2/c1-17-9-5-13-15(10(16)14-9)8-3-6(11)2-7(12)4-8/h2-5H,1H3
InChIKeyHXXBKYNTDJMLGE-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.94
Rot. Bonds2

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

2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one (PubChem CID 15434937) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one
PubChem CID15434937
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one
SMILESCOc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)n1
InChIInChI=1S/C10H7Cl2N3O2/c1-17-9-5-13-15(10(16)14-9)8-3-6(11)2-7(12)4-8/h2-5H,1H3
InChIKeyHXXBKYNTDJMLGE-UHFFFAOYSA-N
XLogP1.94
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one (CID 15434937) is 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one is COc1cnn(-c2cc(Cl)cc(Cl)c2)c(=O)n1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one?
The InChIKey is HXXBKYNTDJMLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-17-9-5-13-15(10(16)14-9)8-3-6(11)2-7(12)4-8/h2-5H,1H3.
What are the key properties of 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one?
2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one has a molecular weight of 272.09 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-5-methoxy-1,2,4-triazin-3-one is sourced from PubChem (CID 15434937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).