ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium

C8H15N4O2+ — CID 123298442

IUPACethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium
SMILESCC[N+](C)(C)n1nc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-5-12(3,4)11-8(14)9-7(13)6(2)10-11/h5H2,1-4H3/p+1
InChIKeyHDWPGNVBNFDTPP-UHFFFAOYSA-O
MW199.23 g/mol
LogP-1.04
Rot. Bonds2

About ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium

ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium (PubChem CID 123298442) has the molecular formula C8H15N4O2+ and a molecular weight of 199.23 g/mol. Its IUPAC name is ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium.

Molecular Properties

Compound Nameethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium
PubChem CID123298442
Molecular FormulaC8H15N4O2+
Molecular Weight199.23 g/mol
Exact Mass199.12
IUPAC Nameethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium
SMILESCC[N+](C)(C)n1nc(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H14N4O2/c1-5-12(3,4)11-8(14)9-7(13)6(2)10-11/h5H2,1-4H3/p+1
InChIKeyHDWPGNVBNFDTPP-UHFFFAOYSA-O
XLogP-1.04
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 5-1.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium with MolForge

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Launch Full Analysis

Related Compounds

2,6-Dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 244943
2-Tert-butyl-6-methyl-1,2,4-triazine-3,5-dione
CID 58821051
4,6-Dimethyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
CID 67989894
2-Ethyl-6-methyl-1,2,4-triazine-3,5-dione
CID 68364823
6-Methyl-2-propan-2-yl-1,2,4-triazine-3,5-dione
CID 129214213
6-Methyl-2-pentan-2-yl-1,2,4-triazine-3,5-dione
CID 167062703
3-(6-Methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide
CID 168157826
6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione
CID 175697431
2-Ethyl-6-methyl-4-propyl-1,2,4-triazine-3,5-dione
CID 176893914
3-(6-Methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile
CID 13481287

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium?
The IUPAC name of ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium (CID 123298442) is ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium.
What is the SMILES notation for ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium?
The canonical SMILES for ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium is CC[N+](C)(C)n1nc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium?
The InChIKey is HDWPGNVBNFDTPP-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H14N4O2/c1-5-12(3,4)11-8(14)9-7(13)6(2)10-11/h5H2,1-4H3/p+1.
What are the key properties of ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium?
ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium has a molecular weight of 199.23 g/mol, XLogP of -1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium is sourced from PubChem (CID 123298442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).