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

C6H6N4 — CID 119098738

IUPAC5,6-dimethyl-1,2,4-triazine-3-carbonitrile
SMILESCc1nnc(C#N)nc1C
InChIInChI=1S/C6H6N4/c1-4-5(2)9-10-6(3-7)8-4/h1-2H3
InChIKeyZOVPYTUNLZFWCF-UHFFFAOYSA-N
MW134.14 g/mol
LogP0.36
Rot. Bonds

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

5,6-dimethyl-1,2,4-triazine-3-carbonitrile (PubChem CID 119098738) has the molecular formula C6H6N4 and a molecular weight of 134.14 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,4-triazine-3-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-1,2,4-triazine-3-carbonitrile
PubChem CID119098738
Molecular FormulaC6H6N4
Molecular Weight134.14 g/mol
Exact Mass134.06
IUPAC Name5,6-dimethyl-1,2,4-triazine-3-carbonitrile
SMILESCc1nnc(C#N)nc1C
InChIInChI=1S/C6H6N4/c1-4-5(2)9-10-6(3-7)8-4/h1-2H3
InChIKeyZOVPYTUNLZFWCF-UHFFFAOYSA-N
XLogP0.36
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,5,6-tetramethylpyrazine;trihydrate
CID 66732985
3-chloro-5,6-dimethyl-1,2,4-triazine
CID 45076266
3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine
CID 121014856
(5,6-dimethyl-1,2,4-triazin-3-yl)-trimethyl-λ4-sulfane
CID 123721132
4-tert-butyl-6-methyl-1,3,5-triazine-2-carbonitrile
CID 171051813
2,3-dimethylquinoxaline-6-carbonitrile
CID 45099880
5-amino-11,16-dimethyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaene-4,10,17-tricarbonitrile
CID 70856637
4-isocyano-6-methyl-1,3,5-triazine-2-carbonitrile
CID 54297602
1-(5,6-dimethyl-1,2,4-triazin-3-yl)ethanamine
CID 82467818
5,6-dimethyl-1,2,4-triazine-3-sulfonamide
CID 114787525
5-amino-6-methylpyrazine-2,3-dicarbonitrile
CID 71440315
5,6-dimethyl-3-[(2-methylcyclopropyl)methylamino]pyridazine-4-carbonitrile
CID 47280760

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,4-triazine-3-carbonitrile?
The IUPAC name of 5,6-dimethyl-1,2,4-triazine-3-carbonitrile (CID 119098738) is 5,6-dimethyl-1,2,4-triazine-3-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-1,2,4-triazine-3-carbonitrile?
The canonical SMILES for 5,6-dimethyl-1,2,4-triazine-3-carbonitrile is Cc1nnc(C#N)nc1C.
What is the InChIKey of 5,6-dimethyl-1,2,4-triazine-3-carbonitrile?
The InChIKey is ZOVPYTUNLZFWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4/c1-4-5(2)9-10-6(3-7)8-4/h1-2H3.
What are the key properties of 5,6-dimethyl-1,2,4-triazine-3-carbonitrile?
5,6-dimethyl-1,2,4-triazine-3-carbonitrile has a molecular weight of 134.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,4-triazine-3-carbonitrile is sourced from PubChem (CID 119098738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).