6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione

C5H8N4O2 — CID 175697431

IUPAC6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione
SMILESCNCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-6-2-3-4(10)7-5(11)9-8-3/h6H,2H2,1H3,(H2,7,9,10,11)
InChIKeySVEDCZHGTKHEMF-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.82
Rot. Bonds2

About 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione

6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione (PubChem CID 175697431) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione
PubChem CID175697431
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione
SMILESCNCc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-6-2-3-4(10)7-5(11)9-8-3/h6H,2H2,1H3,(H2,7,9,10,11)
InChIKeySVEDCZHGTKHEMF-UHFFFAOYSA-N
XLogP-1.82
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Azathymine
CID 70269
N,2-dimethyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 245207
6-(pyrrolidin-1-ylmethyl)-2H-1,2,4-triazine-3,5-dione
CID 70559132
Ethyl-dimethyl-(6-methyl-3,5-dioxo-1,2,4-triazin-2-yl)azanium
CID 123298442
3-oxo-4,5-dihydro-2H-1,2,4-triazine-6-carboxamide
CID 140661943
2,3,4,5-Tetrahydro-1,2,4-triazine-6-carboxamide
CID 149788218
ethane;6-methyl-2H-1,2,4-triazine-3,5-dione
CID 155720358
3-(6-Methyl-3,5-dioxo-1,2,4-triazin-2-yl)propanamide
CID 168157826
3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 4994630
1,6-dimethyl-2H-1,2,4-triazin-1-ium-3,5-dione
CID 10011988
6-(aminomethyl)-2H-1,2,4-triazine-3,5-dione
CID 12276384
N,4-dimethyl-3,5-dioxo-2H-1,2,4-triazine-6-carboxamide
CID 15054426

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione (CID 175697431) is 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione is CNCc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is SVEDCZHGTKHEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-6-2-3-4(10)7-5(11)9-8-3/h6H,2H2,1H3,(H2,7,9,10,11).
What are the key properties of 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione?
6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 156.15 g/mol, XLogP of -1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 175697431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).