4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine

C5H11N3O — CID 55289239

IUPAC4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine
SMILESCC1CN(C)N=C(N)O1
InChIInChI=1S/C5H11N3O/c1-4-3-8(2)7-5(6)9-4/h4H,3H2,1-2H3,(H2,6,7)
InChIKeyBNXURQAMHASZJC-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.43
Rot. Bonds

About 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine

4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine (PubChem CID 55289239) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine
PubChem CID55289239
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine
SMILESCC1CN(C)N=C(N)O1
InChIInChI=1S/C5H11N3O/c1-4-3-8(2)7-5(6)9-4/h4H,3H2,1-2H3,(H2,6,7)
InChIKeyBNXURQAMHASZJC-UHFFFAOYSA-N
XLogP-0.43
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine?
The IUPAC name of 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine (CID 55289239) is 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine.
What is the SMILES notation for 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine?
The canonical SMILES for 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine is CC1CN(C)N=C(N)O1.
What is the InChIKey of 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine?
The InChIKey is BNXURQAMHASZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-4-3-8(2)7-5(6)9-4/h4H,3H2,1-2H3,(H2,6,7).
What are the key properties of 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine?
4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine has a molecular weight of 129.16 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5,6-dihydro-1,3,4-oxadiazin-2-amine is sourced from PubChem (CID 55289239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).