2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile

C6H6N4O2 — CID 20616015

IUPAC2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESCn1nc(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C6H6N4O2/c1-9-5(11)4(3-7)8-10(2)6(9)12/h1-2H3
InChIKeyVTSDVELFQHRQIT-UHFFFAOYSA-N
MW166.14 g/mol
LogP-1.65
Rot. Bonds

About 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile

2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile (PubChem CID 20616015) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile.

Molecular Properties

Compound Name2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile
PubChem CID20616015
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile
SMILESCn1nc(C#N)c(=O)n(C)c1=O
InChIInChI=1S/C6H6N4O2/c1-9-5(11)4(3-7)8-10(2)6(9)12/h1-2H3
InChIKeyVTSDVELFQHRQIT-UHFFFAOYSA-N
XLogP-1.65
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,4,5-trimethylpyrazole-3-carbonitrile
CID 82651109
ethane;1,4,5-trimethylpyrazole-3-carbonitrile
CID 177367250
ethane;6-ethyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 170980144
6-hydrazinyl-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 15268101
1,3,5-trimethyl-2,6-dioxopyrimidine-4-carbonitrile
CID 169129319
3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carbonitrile
CID 10986802
2-cyclopentyl-3,5-dioxo-4-propyl-1,2,4-triazine-6-carbonitrile
CID 46881995
7-imidazol-1-yl-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile
CID 110171650
4-bromo-1-methyl-5-propan-2-ylpyrazole-3-carbonitrile
CID 116858721
1,3-dimethyl-4-[2-[(1-methylpyrazol-3-yl)amino]ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
CID 100710657
7-anilino-1,3-dimethyl-2,4-dioxopteridine-6-carbonitrile
CID 110172068
1-methyl-6-oxopyridazine-3-carbonitrile
CID 82442076

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The IUPAC name of 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile (CID 20616015) is 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile.
What is the SMILES notation for 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The canonical SMILES for 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile is Cn1nc(C#N)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
The InChIKey is VTSDVELFQHRQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-9-5(11)4(3-7)8-10(2)6(9)12/h1-2H3.
What are the key properties of 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile?
2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile has a molecular weight of 166.14 g/mol, XLogP of -1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile is sourced from PubChem (CID 20616015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).