4-propan-2-yl-2H-1,3,5-oxadiazine

C6H10N2O — CID 58655390

IUPAC4-propan-2-yl-2H-1,3,5-oxadiazine
SMILESCC(C)C1=NCOC=N1
InChIInChI=1S/C6H10N2O/c1-5(2)6-7-3-9-4-8-6/h3,5H,4H2,1-2H3
InChIKeyCVCTWLAOJIPJIL-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.06
Rot. Bonds1

About 4-propan-2-yl-2H-1,3,5-oxadiazine

4-propan-2-yl-2H-1,3,5-oxadiazine (PubChem CID 58655390) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 4-propan-2-yl-2H-1,3,5-oxadiazine.

Molecular Properties

Compound Name4-propan-2-yl-2H-1,3,5-oxadiazine
PubChem CID58655390
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name4-propan-2-yl-2H-1,3,5-oxadiazine
SMILESCC(C)C1=NCOC=N1
InChIInChI=1S/C6H10N2O/c1-5(2)6-7-3-9-4-8-6/h3,5H,4H2,1-2H3
InChIKeyCVCTWLAOJIPJIL-UHFFFAOYSA-N
XLogP1.06
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2H-1,3,5-oxadiazine?
The IUPAC name of 4-propan-2-yl-2H-1,3,5-oxadiazine (CID 58655390) is 4-propan-2-yl-2H-1,3,5-oxadiazine.
What is the SMILES notation for 4-propan-2-yl-2H-1,3,5-oxadiazine?
The canonical SMILES for 4-propan-2-yl-2H-1,3,5-oxadiazine is CC(C)C1=NCOC=N1.
What is the InChIKey of 4-propan-2-yl-2H-1,3,5-oxadiazine?
The InChIKey is CVCTWLAOJIPJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(2)6-7-3-9-4-8-6/h3,5H,4H2,1-2H3.
What are the key properties of 4-propan-2-yl-2H-1,3,5-oxadiazine?
4-propan-2-yl-2H-1,3,5-oxadiazine has a molecular weight of 126.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2H-1,3,5-oxadiazine is sourced from PubChem (CID 58655390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).