3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one

C9H12N2O2 — CID 162345306

IUPAC3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one
SMILESCc1ncc2n1C(=O)C(C)OC2C
InChIInChI=1S/C9H12N2O2/c1-5-8-4-10-7(3)11(8)9(12)6(2)13-5/h4-6H,1-3H3
InChIKeyMCMIGANNYLVVES-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.31
Rot. Bonds

About 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one

3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one (PubChem CID 162345306) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one.

Molecular Properties

Compound Name3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one
PubChem CID162345306
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one
SMILESCc1ncc2n1C(=O)C(C)OC2C
InChIInChI=1S/C9H12N2O2/c1-5-8-4-10-7(3)11(8)9(12)6(2)13-5/h4-6H,1-3H3
InChIKeyMCMIGANNYLVVES-UHFFFAOYSA-N
XLogP1.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one?
The IUPAC name of 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one (CID 162345306) is 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one.
What is the SMILES notation for 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one?
The canonical SMILES for 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one is Cc1ncc2n1C(=O)C(C)OC2C.
What is the InChIKey of 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one?
The InChIKey is MCMIGANNYLVVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-8-4-10-7(3)11(8)9(12)6(2)13-5/h4-6H,1-3H3.
What are the key properties of 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one?
3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one has a molecular weight of 180.21 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethyl-8H-imidazo[5,1-c][1,4]oxazin-5-one is sourced from PubChem (CID 162345306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).