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

C5H8N4O2 — CID 23262840

IUPAC4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCNc1n[nH]c(=O)n(C)c1=O
InChIInChI=1S/C5H8N4O2/c1-6-3-4(10)9(2)5(11)8-7-3/h1-2H3,(H,6,7)(H,8,11)
InChIKeyBWGIXWZMTHBOFA-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.49
Rot. Bonds1

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

4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 23262840) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID23262840
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCNc1n[nH]c(=O)n(C)c1=O
InChIInChI=1S/C5H8N4O2/c1-6-3-4(10)9(2)5(11)8-7-3/h1-2H3,(H,6,7)(H,8,11)
InChIKeyBWGIXWZMTHBOFA-UHFFFAOYSA-N
XLogP-1.49
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione (CID 23262840) is 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione is CNc1n[nH]c(=O)n(C)c1=O.
What is the InChIKey of 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is BWGIXWZMTHBOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-6-3-4(10)9(2)5(11)8-7-3/h1-2H3,(H,6,7)(H,8,11).
What are the key properties of 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione?
4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 156.14 g/mol, XLogP of -1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(methylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23262840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).