4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione

C7H13N5O2 — CID 5159286

IUPAC4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione
SMILESCN1C(=O)N(C)C2C1NNC(=O)N2C
InChIInChI=1S/C7H13N5O2/c1-10-4-5(12(3)7(10)14)11(2)6(13)9-8-4/h4-5,8H,1-3H3,(H,9,13)
InChIKeyOEAUZURQZLNAOT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.20
Rot. Bonds

About 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione

4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione (PubChem CID 5159286) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione.

Molecular Properties

Compound Name4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione
PubChem CID5159286
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione
SMILESCN1C(=O)N(C)C2C1NNC(=O)N2C
InChIInChI=1S/C7H13N5O2/c1-10-4-5(12(3)7(10)14)11(2)6(13)9-8-4/h4-5,8H,1-3H3,(H,9,13)
InChIKeyOEAUZURQZLNAOT-UHFFFAOYSA-N
XLogP-1.20
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione?
The IUPAC name of 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione (CID 5159286) is 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione.
What is the SMILES notation for 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione?
The canonical SMILES for 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione is CN1C(=O)N(C)C2C1NNC(=O)N2C.
What is the InChIKey of 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione?
The InChIKey is OEAUZURQZLNAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-10-4-5(12(3)7(10)14)11(2)6(13)9-8-4/h4-5,8H,1-3H3,(H,9,13).
What are the key properties of 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione?
4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione has a molecular weight of 199.21 g/mol, XLogP of -1.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trimethyl-1,2,4a,7a-tetrahydroimidazo[4,5-e][1,2,4]triazine-3,6-dione is sourced from PubChem (CID 5159286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).