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

C9H7Cl2N3O — CID 22008523

IUPAC2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one
SMILESO=C1NCC=NN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2N3O/c10-6-3-7(11)5-8(4-6)14-9(15)12-1-2-13-14/h2-5H,1H2,(H,12,15)
InChIKeyOIDSKIUEFXWZIF-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.51
Rot. Bonds1

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

2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one (PubChem CID 22008523) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one
PubChem CID22008523
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one
SMILESO=C1NCC=NN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H7Cl2N3O/c10-6-3-7(11)5-8(4-6)14-9(15)12-1-2-13-14/h2-5H,1H2,(H,12,15)
InChIKeyOIDSKIUEFXWZIF-UHFFFAOYSA-N
XLogP2.51
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one?
The IUPAC name of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one (CID 22008523) is 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one is O=C1NCC=NN1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one?
The InChIKey is OIDSKIUEFXWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-6-3-7(11)5-8(4-6)14-9(15)12-1-2-13-14/h2-5H,1H2,(H,12,15).
What are the key properties of 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one?
2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one has a molecular weight of 244.08 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4,5-dihydro-1,2,4-triazin-3-one is sourced from PubChem (CID 22008523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).