4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

C25H24N6O — CID 53383699

IUPAC4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESCc1cc2c(cc1C)-n1nnnc1C(N(Cc1ccccc1)Cc1ccccc1)C(=O)N2
InChIInChI=1S/C25H24N6O/c1-17-13-21-22(14-18(17)2)31-24(27-28-29-31)23(25(32)26-21)30(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-14,23H,15-16H2,1-2H3,(H,26,32)
InChIKeyOPGBBEUYMZKZTN-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.97
Rot. Bonds5

About 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one

4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (PubChem CID 53383699) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
PubChem CID53383699
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one
SMILESCc1cc2c(cc1C)-n1nnnc1C(N(Cc1ccccc1)Cc1ccccc1)C(=O)N2
InChIInChI=1S/C25H24N6O/c1-17-13-21-22(14-18(17)2)31-24(27-28-29-31)23(25(32)26-21)30(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-14,23H,15-16H2,1-2H3,(H,26,32)
InChIKeyOPGBBEUYMZKZTN-UHFFFAOYSA-N
XLogP3.97
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The IUPAC name of 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one (CID 53383699) is 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one.
What is the SMILES notation for 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The canonical SMILES for 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is Cc1cc2c(cc1C)-n1nnnc1C(N(Cc1ccccc1)Cc1ccccc1)C(=O)N2.
What is the InChIKey of 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
The InChIKey is OPGBBEUYMZKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-17-13-21-22(14-18(17)2)31-24(27-28-29-31)23(25(32)26-21)30(15-19-9-5-3-6-10-19)16-20-11-7-4-8-12-20/h3-14,23H,15-16H2,1-2H3,(H,26,32).
What are the key properties of 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one?
4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one has a molecular weight of 424.51 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylamino)-8,9-dimethyl-4,6-dihydrotetrazolo[1,5-a][1,5]benzodiazepin-5-one is sourced from PubChem (CID 53383699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).