dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine

C17H13N7O — CID 158797146

IUPACdibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine
SMILESc1ccc2c(c1)oc1ccccc12.c1cnncn1.c1nncnn1
InChIInChI=1S/C12H8O.C3H3N3.C2H2N4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-5-6-3-4-1;1-3-5-2-6-4-1/h1-8H;1-3H;1-2H
InChIKeyISZRKHFIOXHWMK-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.72
Rot. Bonds

About dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine

dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine (PubChem CID 158797146) has the molecular formula C17H13N7O and a molecular weight of 331.34 g/mol. Its IUPAC name is dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine.

Molecular Properties

Compound Namedibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine
PubChem CID158797146
Molecular FormulaC17H13N7O
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Namedibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine
SMILESc1ccc2c(c1)oc1ccccc12.c1cnncn1.c1nncnn1
InChIInChI=1S/C12H8O.C3H3N3.C2H2N4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-5-6-3-4-1;1-3-5-2-6-4-1/h1-8H;1-3H;1-2H
InChIKeyISZRKHFIOXHWMK-UHFFFAOYSA-N
XLogP2.72
TPSA103.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine?
The IUPAC name of dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine (CID 158797146) is dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine.
What is the SMILES notation for dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine?
The canonical SMILES for dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine is c1ccc2c(c1)oc1ccccc12.c1cnncn1.c1nncnn1.
What is the InChIKey of dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine?
The InChIKey is ISZRKHFIOXHWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O.C3H3N3.C2H2N4/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-5-6-3-4-1;1-3-5-2-6-4-1/h1-8H;1-3H;1-2H.
What are the key properties of dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine?
dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine has a molecular weight of 331.34 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran;1,2,4,5-tetrazine;1,2,4-triazine is sourced from PubChem (CID 158797146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).