6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

C9H15N3 — CID 123219303

IUPAC6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC1CN(C)Cc2cncn2C1
InChIInChI=1S/C9H15N3/c1-8-4-11(2)6-9-3-10-7-12(9)5-8/h3,7-8H,4-6H2,1-2H3
InChIKeyNHKITTSYMKSOPW-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.96
Rot. Bonds

About 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine

6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (PubChem CID 123219303) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
PubChem CID123219303
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine
SMILESCC1CN(C)Cc2cncn2C1
InChIInChI=1S/C9H15N3/c1-8-4-11(2)6-9-3-10-7-12(9)5-8/h3,7-8H,4-6H2,1-2H3
InChIKeyNHKITTSYMKSOPW-UHFFFAOYSA-N
XLogP0.96
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine 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 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The IUPAC name of 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine (CID 123219303) is 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine.
What is the SMILES notation for 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The canonical SMILES for 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is CC1CN(C)Cc2cncn2C1.
What is the InChIKey of 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
The InChIKey is NHKITTSYMKSOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-8-4-11(2)6-9-3-10-7-12(9)5-8/h3,7-8H,4-6H2,1-2H3.
What are the key properties of 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine?
6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine has a molecular weight of 165.24 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine is sourced from PubChem (CID 123219303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).