3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene

C15H19N5O — CID 144748693

IUPAC3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene
SMILES[H]/N=C(\N)CCN1C(C=C)=C(C=C)Oc2ccccc21.[H]/N=N/[H]
InChIInChI=1S/C15H17N3O.H2N2/c1-3-11-13(4-2)19-14-8-6-5-7-12(14)18(11)10-9-15(16)17;1-2/h3-8H,1-2,9-10H2,(H3,16,17);1-2H/b;2-1+
InChIKeyLQCFNIPSGZEDOH-WLHGVMLRSA-N
MW285.35 g/mol
LogP3.39
Rot. Bonds5

About 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene

3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene (PubChem CID 144748693) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene.

Molecular Properties

Compound Name3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene
PubChem CID144748693
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene
SMILES[H]/N=C(\N)CCN1C(C=C)=C(C=C)Oc2ccccc21.[H]/N=N/[H]
InChIInChI=1S/C15H17N3O.H2N2/c1-3-11-13(4-2)19-14-8-6-5-7-12(14)18(11)10-9-15(16)17;1-2/h3-8H,1-2,9-10H2,(H3,16,17);1-2H/b;2-1+
InChIKeyLQCFNIPSGZEDOH-WLHGVMLRSA-N
XLogP3.39
TPSA110.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene?
The IUPAC name of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene (CID 144748693) is 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene.
What is the SMILES notation for 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene?
The canonical SMILES for 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene is [H]/N=C(\N)CCN1C(C=C)=C(C=C)Oc2ccccc21.[H]/N=N/[H].
What is the InChIKey of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene?
The InChIKey is LQCFNIPSGZEDOH-WLHGVMLRSA-N. The full InChI is InChI=1S/C15H17N3O.H2N2/c1-3-11-13(4-2)19-14-8-6-5-7-12(14)18(11)10-9-15(16)17;1-2/h3-8H,1-2,9-10H2,(H3,16,17);1-2H/b;2-1+.
What are the key properties of 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene?
3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene has a molecular weight of 285.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-bis(ethenyl)-1,4-benzoxazin-4-yl]propanimidamide;diazene is sourced from PubChem (CID 144748693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).