2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one

C7H10N4O2 — CID 602681

IUPAC2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one
SMILESCN(C)c1nc2n(c(=O)n1)CCO2
InChIInChI=1S/C7H10N4O2/c1-10(2)5-8-6(12)11-3-4-13-7(11)9-5/h3-4H2,1-2H3
InChIKeyCIPMVXYZLWSEDR-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.90
Rot. Bonds1

About 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one

2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one (PubChem CID 602681) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one
PubChem CID602681
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one
SMILESCN(C)c1nc2n(c(=O)n1)CCO2
InChIInChI=1S/C7H10N4O2/c1-10(2)5-8-6(12)11-3-4-13-7(11)9-5/h3-4H2,1-2H3
InChIKeyCIPMVXYZLWSEDR-UHFFFAOYSA-N
XLogP-0.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one (CID 602681) is 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one is CN(C)c1nc2n(c(=O)n1)CCO2.
What is the InChIKey of 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one?
The InChIKey is CIPMVXYZLWSEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-10(2)5-8-6(12)11-3-4-13-7(11)9-5/h3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one?
2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one has a molecular weight of 182.18 g/mol, XLogP of -0.90, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6,7-dihydro-[1,3]oxazolo[3,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 602681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).