ethane;6-methyl-2H-1,2,4-triazine-3,5-dione

C6H11N3O2 — CID 155720358

IUPACethane;6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCC.Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H5N3O2.C2H6/c1-2-3(8)5-4(9)7-6-2;1-2/h1H3,(H2,5,7,8,9);1-2H3
InChIKeyPFTYDKKQMAHVCG-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.21
Rot. Bonds

About ethane;6-methyl-2H-1,2,4-triazine-3,5-dione

ethane;6-methyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 155720358) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is ethane;6-methyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Nameethane;6-methyl-2H-1,2,4-triazine-3,5-dione
PubChem CID155720358
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Nameethane;6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCC.Cc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C4H5N3O2.C2H6/c1-2-3(8)5-4(9)7-6-2;1-2/h1H3,(H2,5,7,8,9);1-2H3
InChIKeyPFTYDKKQMAHVCG-UHFFFAOYSA-N
XLogP-0.21
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Azathymine
CID 70269
1,2,4-Triazine-2,5(2H,4H)-dione, 6-(1,1-dimethylethyl)-
CID 40299
4,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 245931
4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
CID 11073521
2,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 244943
6-(Fluoromethyl)-1,2,4-triazine-3,5(2h,4h)-dione
CID 263427
1,2,4-Triazine-3,5(2H,4H)-dione, 6-propyl-
CID 15277155
6-Ethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 23273425
6-Isopropyl-1,2,4-triazine-3,5(2h,4h)-dione
CID 45071933
6-(difluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione
CID 157490353
CID 158950829
CID 158950829
6-butyl-2H-1,2,4-triazine-3,5-dione
CID 10888325

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of ethane;6-methyl-2H-1,2,4-triazine-3,5-dione (CID 155720358) is ethane;6-methyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for ethane;6-methyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for ethane;6-methyl-2H-1,2,4-triazine-3,5-dione is CC.Cc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of ethane;6-methyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is PFTYDKKQMAHVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2.C2H6/c1-2-3(8)5-4(9)7-6-2;1-2/h1H3,(H2,5,7,8,9);1-2H3.
What are the key properties of ethane;6-methyl-2H-1,2,4-triazine-3,5-dione?
ethane;6-methyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 155720358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).