5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one

C6H6N4O2 — CID 139493621

IUPAC5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one
SMILESCn1cnc2c(=O)oc(N)nc21
InChIInChI=1S/C6H6N4O2/c1-10-2-8-3-4(10)9-6(7)12-5(3)11/h2H,1H3,(H2,7,9)
InChIKeyPNFSTEVVNAHKJL-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.50
Rot. Bonds

About 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one

5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one (PubChem CID 139493621) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one.

Molecular Properties

Compound Name5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one
PubChem CID139493621
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one
SMILESCn1cnc2c(=O)oc(N)nc21
InChIInChI=1S/C6H6N4O2/c1-10-2-8-3-4(10)9-6(7)12-5(3)11/h2H,1H3,(H2,7,9)
InChIKeyPNFSTEVVNAHKJL-UHFFFAOYSA-N
XLogP-0.50
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one?
The IUPAC name of 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one (CID 139493621) is 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one.
What is the SMILES notation for 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one?
The canonical SMILES for 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one is Cn1cnc2c(=O)oc(N)nc21.
What is the InChIKey of 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one?
The InChIKey is PNFSTEVVNAHKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c1-10-2-8-3-4(10)9-6(7)12-5(3)11/h2H,1H3,(H2,7,9).
What are the key properties of 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one?
5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one has a molecular weight of 166.14 g/mol, XLogP of -0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-methylimidazo[4,5-d][1,3]oxazin-7-one is sourced from PubChem (CID 139493621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).