3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene

C14H12N6 — CID 11572496

IUPAC3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESc1ccc(C2C3Cc4c(-c5nn[nH]n5)n[nH]c4C32)cc1
InChIInChI=1S/C14H12N6/c1-2-4-7(5-3-1)10-8-6-9-12(11(8)10)15-16-13(9)14-17-19-20-18-14/h1-5,8,10-11H,6H2,(H,15,16)(H,17,18,19,20)
InChIKeyADDWQSJBENMLJW-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.64
Rot. Bonds2

About 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene

3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (PubChem CID 11572496) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.

Molecular Properties

Compound Name3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
PubChem CID11572496
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene
SMILESc1ccc(C2C3Cc4c(-c5nn[nH]n5)n[nH]c4C32)cc1
InChIInChI=1S/C14H12N6/c1-2-4-7(5-3-1)10-8-6-9-12(11(8)10)15-16-13(9)14-17-19-20-18-14/h1-5,8,10-11H,6H2,(H,15,16)(H,17,18,19,20)
InChIKeyADDWQSJBENMLJW-UHFFFAOYSA-N
XLogP1.64
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene 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-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The IUPAC name of 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene (CID 11572496) is 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene.
What is the SMILES notation for 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The canonical SMILES for 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is c1ccc(C2C3Cc4c(-c5nn[nH]n5)n[nH]c4C32)cc1.
What is the InChIKey of 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
The InChIKey is ADDWQSJBENMLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c1-2-4-7(5-3-1)10-8-6-9-12(11(8)10)15-16-13(9)14-17-19-20-18-14/h1-5,8,10-11H,6H2,(H,15,16)(H,17,18,19,20).
What are the key properties of 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene?
3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene has a molecular weight of 264.29 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-(2H-tetrazol-5-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene is sourced from PubChem (CID 11572496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).