2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione

C8H13N3O2 — CID 58821051

IUPAC2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-6(12)9-7(13)11(10-5)8(2,3)4/h1-4H3,(H,9,12,13)
InChIKeyCZRKMVMSLHZVAI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.00
Rot. Bonds

About 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione

2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 58821051) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID58821051
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn(C(C)(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5-6(12)9-7(13)11(10-5)8(2,3)4/h1-4H3,(H,9,12,13)
InChIKeyCZRKMVMSLHZVAI-UHFFFAOYSA-N
XLogP-0.00
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methyl-2-(2,2,2-trifluoroacetyl)-1,2,4-triazine-3,5-dione
CID 51063156
2-Tert-butyl-6-fluoro-1,2,4-triazine-3,5-dione
CID 58226944
2-Tert-butyl-6-(difluoromethyl)-1,2,4-triazine-3,5-dione
CID 178474593
2-Tert-butyl-6-(fluoromethyl)-1,2,4-triazine-3,5-dione
CID 178474674
2-acetyl-6-methyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 44725398
2-Tert-butyl-6-methyl-3-methylidene-1,2,4-triazin-5-one
CID 58821073
2-Tert-butyl-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 67682971
2-Ethyl-6-methyl-1,2,4-triazine-3,5-dione
CID 68364823
Ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium
CID 123298442
6-Methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
CID 129214213
2-Iodo-6-methyl-1,2,4-triazine-3,5-dione
CID 148194046
ethane;6-methyl-2H-1,2,4-triazine-3,5-dione
CID 155720358

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione (CID 58821051) is 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione is Cc1nn(C(C)(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is CZRKMVMSLHZVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-6(12)9-7(13)11(10-5)8(2,3)4/h1-4H3,(H,9,12,13).
What are the key properties of 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione?
2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 183.21 g/mol, XLogP of -0.00, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 58821051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).