4H-tetrazolo[1,5-a][1,3]benzodiazepine

C9H7N5 — CID 171486486

IUPAC4H-tetrazolo[1,5-a][1,3]benzodiazepine
SMILESC1=Cc2ccccc2-n2nnnc2N1
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-6-10-9-11-12-13-14(8)9/h1-6H,(H,10,11,13)
InChIKeyCXEMYTLXJDUZJY-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.06
Rot. Bonds

About 4H-tetrazolo[1,5-a][1,3]benzodiazepine

4H-tetrazolo[1,5-a][1,3]benzodiazepine (PubChem CID 171486486) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 4H-tetrazolo[1,5-a][1,3]benzodiazepine.

Molecular Properties

Compound Name4H-tetrazolo[1,5-a][1,3]benzodiazepine
PubChem CID171486486
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name4H-tetrazolo[1,5-a][1,3]benzodiazepine
SMILESC1=Cc2ccccc2-n2nnnc2N1
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-6-10-9-11-12-13-14(8)9/h1-6H,(H,10,11,13)
InChIKeyCXEMYTLXJDUZJY-UHFFFAOYSA-N
XLogP1.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4H-tetrazolo[1,5-a][1,3]benzodiazepine?
The IUPAC name of 4H-tetrazolo[1,5-a][1,3]benzodiazepine (CID 171486486) is 4H-tetrazolo[1,5-a][1,3]benzodiazepine.
What is the SMILES notation for 4H-tetrazolo[1,5-a][1,3]benzodiazepine?
The canonical SMILES for 4H-tetrazolo[1,5-a][1,3]benzodiazepine is C1=Cc2ccccc2-n2nnnc2N1.
What is the InChIKey of 4H-tetrazolo[1,5-a][1,3]benzodiazepine?
The InChIKey is CXEMYTLXJDUZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-6-10-9-11-12-13-14(8)9/h1-6H,(H,10,11,13).
What are the key properties of 4H-tetrazolo[1,5-a][1,3]benzodiazepine?
4H-tetrazolo[1,5-a][1,3]benzodiazepine has a molecular weight of 185.19 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-tetrazolo[1,5-a][1,3]benzodiazepine is sourced from PubChem (CID 171486486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).