6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one

C17H19N5O — CID 123342987

IUPAC6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one
SMILESCc1ccc(C2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1
InChIInChI=1S/C17H19N5O/c1-10-4-6-11(7-5-10)15-14-12(8-17(2,3)9-13(14)23)18-16-19-20-21-22(15)16/h4-7,14-15H,8-9H2,1-3H3
InChIKeyYSSAVYIWDAHVTL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.66
Rot. Bonds1

About 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one

6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one (PubChem CID 123342987) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one
PubChem CID123342987
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one
SMILESCc1ccc(C2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1
InChIInChI=1S/C17H19N5O/c1-10-4-6-11(7-5-10)15-14-12(8-17(2,3)9-13(14)23)18-16-19-20-21-22(15)16/h4-7,14-15H,8-9H2,1-3H3
InChIKeyYSSAVYIWDAHVTL-UHFFFAOYSA-N
XLogP2.66
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one 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 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one (CID 123342987) is 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one is Cc1ccc(C2C3C(=O)CC(C)(C)CC3=Nc3nnnn32)cc1.
What is the InChIKey of 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one?
The InChIKey is YSSAVYIWDAHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-10-4-6-11(7-5-10)15-14-12(8-17(2,3)9-13(14)23)18-16-19-20-21-22(15)16/h4-7,14-15H,8-9H2,1-3H3.
What are the key properties of 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one?
6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one has a molecular weight of 309.37 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 123342987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).