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

C4H6N4O2 — CID 11073521

IUPAC4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCc1n[nH]c(=O)n(N)c1=O
InChIInChI=1S/C4H6N4O2/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)
InChIKeyOBVMWVBNOLJKBG-UHFFFAOYSA-N
MW142.12 g/mol
LogP-2.05
Rot. Bonds

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

4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione (PubChem CID 11073521) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
PubChem CID11073521
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Name4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione
SMILESCc1n[nH]c(=O)n(N)c1=O
InChIInChI=1S/C4H6N4O2/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10)
InChIKeyOBVMWVBNOLJKBG-UHFFFAOYSA-N
XLogP-2.05
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 ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione (CID 11073521) is 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione is Cc1n[nH]c(=O)n(N)c1=O.
What is the InChIKey of 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione?
The InChIKey is OBVMWVBNOLJKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-2-3(9)8(5)4(10)7-6-2/h5H2,1H3,(H,7,10).
What are the key properties of 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione?
4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione has a molecular weight of 142.12 g/mol, XLogP of -2.05, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 11073521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).