6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione

C7H9N5O2 — CID 137219452

IUPAC6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione
SMILESCCn1c(=O)[nH]c2nc(C)nn2c1=O
InChIInChI=1S/C7H9N5O2/c1-3-11-6(13)9-5-8-4(2)10-12(5)7(11)14/h3H2,1-2H3,(H,8,9,10,13)
InChIKeyZODSUPWLKUSKOS-UHFFFAOYSA-N
MW195.18 g/mol
LogP-1.09
Rot. Bonds1

About 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione

6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione (PubChem CID 137219452) has the molecular formula C7H9N5O2 and a molecular weight of 195.18 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione.

Molecular Properties

Compound Name6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione
PubChem CID137219452
Molecular FormulaC7H9N5O2
Molecular Weight195.18 g/mol
Exact Mass195.08
IUPAC Name6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione
SMILESCCn1c(=O)[nH]c2nc(C)nn2c1=O
InChIInChI=1S/C7H9N5O2/c1-3-11-6(13)9-5-8-4(2)10-12(5)7(11)14/h3H2,1-2H3,(H,8,9,10,13)
InChIKeyZODSUPWLKUSKOS-UHFFFAOYSA-N
XLogP-1.09
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione?
The IUPAC name of 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione (CID 137219452) is 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione.
What is the SMILES notation for 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione?
The canonical SMILES for 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione is CCn1c(=O)[nH]c2nc(C)nn2c1=O.
What is the InChIKey of 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione?
The InChIKey is ZODSUPWLKUSKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2/c1-3-11-6(13)9-5-8-4(2)10-12(5)7(11)14/h3H2,1-2H3,(H,8,9,10,13).
What are the key properties of 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione?
6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione has a molecular weight of 195.18 g/mol, XLogP of -1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4H-[1,2,4]triazolo[1,5-a][1,3,5]triazine-5,7-dione is sourced from PubChem (CID 137219452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).