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

C9H7N5 — CID 70514949

IUPAC1H-tetrazolo[1,5-a][1,4]benzodiazepine
SMILESC1=NC=C2N=NNN2c2ccccc21
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-10-6-9-11-12-13-14(8)9/h1-6H,(H,11,13)
InChIKeyOFMLOMPEURNHQP-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.61
Rot. Bonds

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

1H-tetrazolo[1,5-a][1,4]benzodiazepine (PubChem CID 70514949) has the molecular formula C9H7N5 and a molecular weight of 185.19 g/mol. Its IUPAC name is 1H-tetrazolo[1,5-a][1,4]benzodiazepine.

Molecular Properties

Compound Name1H-tetrazolo[1,5-a][1,4]benzodiazepine
PubChem CID70514949
Molecular FormulaC9H7N5
Molecular Weight185.19 g/mol
Exact Mass185.07
IUPAC Name1H-tetrazolo[1,5-a][1,4]benzodiazepine
SMILESC1=NC=C2N=NNN2c2ccccc21
InChIInChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-10-6-9-11-12-13-14(8)9/h1-6H,(H,11,13)
InChIKeyOFMLOMPEURNHQP-UHFFFAOYSA-N
XLogP1.61
TPSA52.35 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-tetrazolo[1,5-a][1,4]benzodiazepine?
The IUPAC name of 1H-tetrazolo[1,5-a][1,4]benzodiazepine (CID 70514949) is 1H-tetrazolo[1,5-a][1,4]benzodiazepine.
What is the SMILES notation for 1H-tetrazolo[1,5-a][1,4]benzodiazepine?
The canonical SMILES for 1H-tetrazolo[1,5-a][1,4]benzodiazepine is C1=NC=C2N=NNN2c2ccccc21.
What is the InChIKey of 1H-tetrazolo[1,5-a][1,4]benzodiazepine?
The InChIKey is OFMLOMPEURNHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5/c1-2-4-8-7(3-1)5-10-6-9-11-12-13-14(8)9/h1-6H,(H,11,13).
What are the key properties of 1H-tetrazolo[1,5-a][1,4]benzodiazepine?
1H-tetrazolo[1,5-a][1,4]benzodiazepine has a molecular weight of 185.19 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-tetrazolo[1,5-a][1,4]benzodiazepine is sourced from PubChem (CID 70514949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).