6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione

C5H8N4O2 — CID 43646859

IUPAC6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N)c(=O)n(C)c1=O
InChIInChI=1S/C5H8N4O2/c1-8-4(10)3(6)7-9(2)5(8)11/h1-2H3,(H2,6,7)
InChIKeyCZOXGZAOMUYEIM-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.94
Rot. Bonds

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

6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 43646859) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID43646859
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N)c(=O)n(C)c1=O
InChIInChI=1S/C5H8N4O2/c1-8-4(10)3(6)7-9(2)5(8)11/h1-2H3,(H2,6,7)
InChIKeyCZOXGZAOMUYEIM-UHFFFAOYSA-N
XLogP-1.94
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 43646859) is 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is CZOXGZAOMUYEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c1-8-4(10)3(6)7-9(2)5(8)11/h1-2H3,(H2,6,7).
What are the key properties of 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 156.15 g/mol, XLogP of -1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 43646859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).