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

C5H8N4O2 — CID 23262841

IUPAC2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione
SMILESCNc1nn(C)c(=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-6-3-4(10)7-5(11)9(2)8-3/h1-2H3,(H,6,8)(H,7,10,11)
InChIKeyLPDIZLQREGVKSP-UHFFFAOYSA-N
MW156.14 g/mol
LogP-1.49
Rot. Bonds1

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

2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione (PubChem CID 23262841) has the molecular formula C5H8N4O2 and a molecular weight of 156.14 g/mol. Its IUPAC name is 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione
PubChem CID23262841
Molecular FormulaC5H8N4O2
Molecular Weight156.14 g/mol
Exact Mass156.06
IUPAC Name2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione
SMILESCNc1nn(C)c(=O)[nH]c1=O
InChIInChI=1S/C5H8N4O2/c1-6-3-4(10)7-5(11)9(2)8-3/h1-2H3,(H,6,8)(H,7,10,11)
InChIKeyLPDIZLQREGVKSP-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 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione (CID 23262841) is 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione is CNc1nn(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
The InChIKey is LPDIZLQREGVKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-6-3-4(10)7-5(11)9(2)8-3/h1-2H3,(H,6,8)(H,7,10,11).
What are the key properties of 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione?
2-methyl-6-(methylamino)-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 2-methyl-6-(methylamino)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23262841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).