1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine

C16H14N4O2 — CID 45028134

IUPAC1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine
SMILESc1ccc2c(c1)COC(NNC1=Nc3ccccc3CO1)=N2
InChIInChI=1S/C16H14N4O2/c1-3-7-13-11(5-1)9-21-15(17-13)19-20-16-18-14-8-4-2-6-12(14)10-22-16/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyWLFLDGLRPSLTQE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.52
Rot. Bonds

About 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine

1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine (PubChem CID 45028134) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine.

Molecular Properties

Compound Name1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine
PubChem CID45028134
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine
SMILESc1ccc2c(c1)COC(NNC1=Nc3ccccc3CO1)=N2
InChIInChI=1S/C16H14N4O2/c1-3-7-13-11(5-1)9-21-15(17-13)19-20-16-18-14-8-4-2-6-12(14)10-22-16/h1-8H,9-10H2,(H,17,19)(H,18,20)
InChIKeyWLFLDGLRPSLTQE-UHFFFAOYSA-N
XLogP2.52
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine?
The IUPAC name of 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine (CID 45028134) is 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine.
What is the SMILES notation for 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine?
The canonical SMILES for 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine is c1ccc2c(c1)COC(NNC1=Nc3ccccc3CO1)=N2.
What is the InChIKey of 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine?
The InChIKey is WLFLDGLRPSLTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-3-7-13-11(5-1)9-21-15(17-13)19-20-16-18-14-8-4-2-6-12(14)10-22-16/h1-8H,9-10H2,(H,17,19)(H,18,20).
What are the key properties of 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine?
1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine has a molecular weight of 294.31 g/mol, XLogP of 2.52, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4H-3,1-benzoxazin-2-yl)hydrazine is sourced from PubChem (CID 45028134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).