3-(furan-2-yl)-1,2,4,5-tetrazine

C6H4N4O — CID 15362134

IUPAC3-(furan-2-yl)-1,2,4,5-tetrazine
SMILESc1coc(-c2nncnn2)c1
InChIInChI=1S/C6H4N4O/c1-2-5(11-3-1)6-9-7-4-8-10-6/h1-4H
InChIKeyXGSCDDFFWLGFNB-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.53
Rot. Bonds1

About 3-(furan-2-yl)-1,2,4,5-tetrazine

3-(furan-2-yl)-1,2,4,5-tetrazine (PubChem CID 15362134) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-(furan-2-yl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(furan-2-yl)-1,2,4,5-tetrazine
PubChem CID15362134
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name3-(furan-2-yl)-1,2,4,5-tetrazine
SMILESc1coc(-c2nncnn2)c1
InChIInChI=1S/C6H4N4O/c1-2-5(11-3-1)6-9-7-4-8-10-6/h1-4H
InChIKeyXGSCDDFFWLGFNB-UHFFFAOYSA-N
XLogP0.53
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(furan-2-yl)-1,2,4,5-tetrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1,2,4,5-tetrazine?
The IUPAC name of 3-(furan-2-yl)-1,2,4,5-tetrazine (CID 15362134) is 3-(furan-2-yl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(furan-2-yl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-(furan-2-yl)-1,2,4,5-tetrazine is c1coc(-c2nncnn2)c1.
What is the InChIKey of 3-(furan-2-yl)-1,2,4,5-tetrazine?
The InChIKey is XGSCDDFFWLGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c1-2-5(11-3-1)6-9-7-4-8-10-6/h1-4H.
What are the key properties of 3-(furan-2-yl)-1,2,4,5-tetrazine?
3-(furan-2-yl)-1,2,4,5-tetrazine has a molecular weight of 148.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1,2,4,5-tetrazine is sourced from PubChem (CID 15362134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).