[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine

C11H9N5O2 — CID 12854420

IUPAC[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nnc(-c2ccco2)c(-c2ccco2)n1
InChIInChI=1S/C11H9N5O2/c12-14-11-13-9(7-3-1-5-17-7)10(15-16-11)8-4-2-6-18-8/h1-6H,12H2,(H,13,14,16)
InChIKeyXJEIZVBUSQYZFY-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.68
Rot. Bonds3

About [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine

[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine (PubChem CID 12854420) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine.

Molecular Properties

Compound Name[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine
PubChem CID12854420
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine
SMILESNNc1nnc(-c2ccco2)c(-c2ccco2)n1
InChIInChI=1S/C11H9N5O2/c12-14-11-13-9(7-3-1-5-17-7)10(15-16-11)8-4-2-6-18-8/h1-6H,12H2,(H,13,14,16)
InChIKeyXJEIZVBUSQYZFY-UHFFFAOYSA-N
XLogP1.68
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine?
The IUPAC name of [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine (CID 12854420) is [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine.
What is the SMILES notation for [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine?
The canonical SMILES for [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine is NNc1nnc(-c2ccco2)c(-c2ccco2)n1.
What is the InChIKey of [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine?
The InChIKey is XJEIZVBUSQYZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c12-14-11-13-9(7-3-1-5-17-7)10(15-16-11)8-4-2-6-18-8/h1-6H,12H2,(H,13,14,16).
What are the key properties of [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine?
[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine has a molecular weight of 243.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine is sourced from PubChem (CID 12854420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).