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

C4H6N4O2 — CID 23262800

IUPAC6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)[nH]nc(N)c1=O
InChIInChI=1S/C4H6N4O2/c1-8-3(9)2(5)6-7-4(8)10/h1H3,(H2,5,6)(H,7,10)
InChIKeyNUWYGWMZDJROFL-UHFFFAOYSA-N
MW142.12 g/mol
LogP-1.95
Rot. Bonds

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

6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 23262800) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione
PubChem CID23262800
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)[nH]nc(N)c1=O
InChIInChI=1S/C4H6N4O2/c1-8-3(9)2(5)6-7-4(8)10/h1H3,(H2,5,6)(H,7,10)
InChIKeyNUWYGWMZDJROFL-UHFFFAOYSA-N
XLogP-1.95
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione (CID 23262800) is 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione is Cn1c(=O)[nH]nc(N)c1=O.
What is the InChIKey of 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is NUWYGWMZDJROFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-8-3(9)2(5)6-7-4(8)10/h1H3,(H2,5,6)(H,7,10).
What are the key properties of 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione?
6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 142.12 g/mol, XLogP of -1.95, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 23262800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).