8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one

C10H9N5O — CID 13370473

IUPAC8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one
SMILESCc1ccc2c(c1)Cn1nnnc1C(=O)N2
InChIInChI=1S/C10H9N5O/c1-6-2-3-8-7(4-6)5-15-9(10(16)11-8)12-13-14-15/h2-4H,5H2,1H3,(H,11,16)
InChIKeyOLCGOGWRBKDJBU-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.60
Rot. Bonds

About 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one

8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one (PubChem CID 13370473) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one.

Molecular Properties

Compound Name8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one
PubChem CID13370473
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one
SMILESCc1ccc2c(c1)Cn1nnnc1C(=O)N2
InChIInChI=1S/C10H9N5O/c1-6-2-3-8-7(4-6)5-15-9(10(16)11-8)12-13-14-15/h2-4H,5H2,1H3,(H,11,16)
InChIKeyOLCGOGWRBKDJBU-UHFFFAOYSA-N
XLogP0.60
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one?
The IUPAC name of 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one (CID 13370473) is 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one.
What is the SMILES notation for 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one?
The canonical SMILES for 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one is Cc1ccc2c(c1)Cn1nnnc1C(=O)N2.
What is the InChIKey of 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one?
The InChIKey is OLCGOGWRBKDJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-6-2-3-8-7(4-6)5-15-9(10(16)11-8)12-13-14-15/h2-4H,5H2,1H3,(H,11,16).
What are the key properties of 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one?
8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one has a molecular weight of 215.22 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,10-dihydrotetrazolo[5,1-c][1,4]benzodiazepin-4-one is sourced from PubChem (CID 13370473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).