2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine

C11H15N3O — CID 58646306

IUPAC2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1OCC(C)(c2ccccc2)N=C1N
InChIInChI=1S/C11H15N3O/c1-11(9-6-4-3-5-7-9)8-15-14(2)10(12)13-11/h3-7H,8H2,1-2H3,(H2,12,13)
InChIKeyAVRSNIGZODTAMT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.09
Rot. Bonds1

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

2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine (PubChem CID 58646306) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine
PubChem CID58646306
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine
SMILESCN1OCC(C)(c2ccccc2)N=C1N
InChIInChI=1S/C11H15N3O/c1-11(9-6-4-3-5-7-9)8-15-14(2)10(12)13-11/h3-7H,8H2,1-2H3,(H2,12,13)
InChIKeyAVRSNIGZODTAMT-UHFFFAOYSA-N
XLogP1.09
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine?
The IUPAC name of 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine (CID 58646306) is 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine.
What is the SMILES notation for 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine?
The canonical SMILES for 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine is CN1OCC(C)(c2ccccc2)N=C1N.
What is the InChIKey of 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine?
The InChIKey is AVRSNIGZODTAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-11(9-6-4-3-5-7-9)8-15-14(2)10(12)13-11/h3-7H,8H2,1-2H3,(H2,12,13).
What are the key properties of 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine?
2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine has a molecular weight of 205.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-phenyl-6H-1,2,4-oxadiazin-3-amine is sourced from PubChem (CID 58646306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).