1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate

C10H6N10O2-2 — CID 2245163

IUPAC1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate
SMILES[O-]C(=Nc1nn[nH]n1)c1ccc(C([O-])=Nc2nn[nH]n2)cc1
InChIInChI=1S/C10H8N10O2/c21-7(11-9-13-17-18-14-9)5-1-2-6(4-3-5)8(22)12-10-15-19-20-16-10/h1-4H,(H2,11,13,14,17,18,21)(H2,12,15,16,19,20,22)/p-2
InChIKeyVWHHDGICZHSEPY-UHFFFAOYSA-L
MW298.23 g/mol
LogP-2.41
Rot. Bonds4

About 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate

1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate (PubChem CID 2245163) has the molecular formula C10H6N10O2-2 and a molecular weight of 298.23 g/mol. Its IUPAC name is 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate.

Molecular Properties

Compound Name1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate
PubChem CID2245163
Molecular FormulaC10H6N10O2-2
Molecular Weight298.23 g/mol
Exact Mass298.07
IUPAC Name1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate
SMILES[O-]C(=Nc1nn[nH]n1)c1ccc(C([O-])=Nc2nn[nH]n2)cc1
InChIInChI=1S/C10H8N10O2/c21-7(11-9-13-17-18-14-9)5-1-2-6(4-3-5)8(22)12-10-15-19-20-16-10/h1-4H,(H2,11,13,14,17,18,21)(H2,12,15,16,19,20,22)/p-2
InChIKeyVWHHDGICZHSEPY-UHFFFAOYSA-L
XLogP-2.41
TPSA179.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 5-2.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate 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 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate?
The IUPAC name of 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate (CID 2245163) is 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate.
What is the SMILES notation for 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate?
The canonical SMILES for 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate is [O-]C(=Nc1nn[nH]n1)c1ccc(C([O-])=Nc2nn[nH]n2)cc1.
What is the InChIKey of 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate?
The InChIKey is VWHHDGICZHSEPY-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8N10O2/c21-7(11-9-13-17-18-14-9)5-1-2-6(4-3-5)8(22)12-10-15-19-20-16-10/h1-4H,(H2,11,13,14,17,18,21)(H2,12,15,16,19,20,22)/p-2.
What are the key properties of 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate?
1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate has a molecular weight of 298.23 g/mol, XLogP of -2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2H-tetrazol-5-yl)benzene-1,4-dicarboximidate is sourced from PubChem (CID 2245163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).