6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine

C11H10N4 — CID 101341197

IUPAC6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine
SMILESC=C1Cc2ccccc2-c2nnnn2C1
InChIInChI=1S/C11H10N4/c1-8-6-9-4-2-3-5-10(9)11-12-13-14-15(11)7-8/h2-5H,1,6-7H2
InChIKeyMBGUMHPZHJKXRV-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.45
Rot. Bonds

About 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine

6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine (PubChem CID 101341197) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine.

Molecular Properties

Compound Name6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine
PubChem CID101341197
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine
SMILESC=C1Cc2ccccc2-c2nnnn2C1
InChIInChI=1S/C11H10N4/c1-8-6-9-4-2-3-5-10(9)11-12-13-14-15(11)7-8/h2-5H,1,6-7H2
InChIKeyMBGUMHPZHJKXRV-UHFFFAOYSA-N
XLogP1.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine 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 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine?
The IUPAC name of 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine (CID 101341197) is 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine.
What is the SMILES notation for 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine?
The canonical SMILES for 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine is C=C1Cc2ccccc2-c2nnnn2C1.
What is the InChIKey of 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine?
The InChIKey is MBGUMHPZHJKXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-6-9-4-2-3-5-10(9)11-12-13-14-15(11)7-8/h2-5H,1,6-7H2.
What are the key properties of 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine?
6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine has a molecular weight of 198.23 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-5,7-dihydrotetrazolo[5,1-a][2]benzazepine is sourced from PubChem (CID 101341197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).