2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile

C10H4Cl2N4O2 — CID 12569250

IUPAC2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C10H4Cl2N4O2/c11-5-1-6(12)3-7(2-5)16-10(18)14-9(17)8(4-13)15-16/h1-3H,(H,14,17,18)
InChIKeyUQCFNGFRGBMYOP-UHFFFAOYSA-N
MW283.07 g/mol
LogP1.10
Rot. Bonds1

About 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile

2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile (PubChem CID 12569250) has the molecular formula C10H4Cl2N4O2 and a molecular weight of 283.07 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
PubChem CID12569250
Molecular FormulaC10H4Cl2N4O2
Molecular Weight283.07 g/mol
Exact Mass281.97
IUPAC Name2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESN#Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C10H4Cl2N4O2/c11-5-1-6(12)3-7(2-5)16-10(18)14-9(17)8(4-13)15-16/h1-3H,(H,14,17,18)
InChIKeyUQCFNGFRGBMYOP-UHFFFAOYSA-N
XLogP1.10
TPSA91.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.07
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile (CID 12569250) is 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile is N#Cc1nn(-c2cc(Cl)cc(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is UQCFNGFRGBMYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N4O2/c11-5-1-6(12)3-7(2-5)16-10(18)14-9(17)8(4-13)15-16/h1-3H,(H,14,17,18).
What are the key properties of 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 283.07 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-3,5-dioxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 12569250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).