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

C9H7Cl2N3O — CID 68959507

IUPAC3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2cc(Cl)cc(Cl)c2)NN1
InChIInChI=1S/C9H7Cl2N3O/c10-6-1-5(2-7(11)3-6)9-12-4-8(15)13-14-9/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyMPFSXKCVNOIRDK-UHFFFAOYSA-N
MW244.08 g/mol
LogP1.37
Rot. Bonds1

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

3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one (PubChem CID 68959507) has the molecular formula C9H7Cl2N3O and a molecular weight of 244.08 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
PubChem CID68959507
Molecular FormulaC9H7Cl2N3O
Molecular Weight244.08 g/mol
Exact Mass243.00
IUPAC Name3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one
SMILESO=C1CN=C(c2cc(Cl)cc(Cl)c2)NN1
InChIInChI=1S/C9H7Cl2N3O/c10-6-1-5(2-7(11)3-6)9-12-4-8(15)13-14-9/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyMPFSXKCVNOIRDK-UHFFFAOYSA-N
XLogP1.37
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one (CID 68959507) is 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one is O=C1CN=C(c2cc(Cl)cc(Cl)c2)NN1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
The InChIKey is MPFSXKCVNOIRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3O/c10-6-1-5(2-7(11)3-6)9-12-4-8(15)13-14-9/h1-3H,4H2,(H,12,14)(H,13,15).
What are the key properties of 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one?
3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one has a molecular weight of 244.08 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-2,5-dihydro-1H-1,2,4-triazin-6-one is sourced from PubChem (CID 68959507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).