4-phenyl-1,3-diazinane

C10H14N2 — CID 70630452

IUPAC4-phenyl-1,3-diazinane
SMILESc1ccc(C2CCNCN2)cc1
InChIInChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10-12H,6-8H2
InChIKeyMSVBZOAXZMFSLS-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.27
Rot. Bonds1

About 4-phenyl-1,3-diazinane

4-phenyl-1,3-diazinane (PubChem CID 70630452) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 4-phenyl-1,3-diazinane.

Molecular Properties

Compound Name4-phenyl-1,3-diazinane
PubChem CID70630452
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name4-phenyl-1,3-diazinane
SMILESc1ccc(C2CCNCN2)cc1
InChIInChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10-12H,6-8H2
InChIKeyMSVBZOAXZMFSLS-UHFFFAOYSA-N
XLogP1.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-diazinane?
The IUPAC name of 4-phenyl-1,3-diazinane (CID 70630452) is 4-phenyl-1,3-diazinane.
What is the SMILES notation for 4-phenyl-1,3-diazinane?
The canonical SMILES for 4-phenyl-1,3-diazinane is c1ccc(C2CCNCN2)cc1.
What is the InChIKey of 4-phenyl-1,3-diazinane?
The InChIKey is MSVBZOAXZMFSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-6-7-11-8-12-10/h1-5,10-12H,6-8H2.
What are the key properties of 4-phenyl-1,3-diazinane?
4-phenyl-1,3-diazinane has a molecular weight of 162.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-diazinane is sourced from PubChem (CID 70630452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).