5,5,7-trimethyl-1,4-diazepine

C8H12N2 — CID 101208544

IUPAC5,5,7-trimethyl-1,4-diazepine
SMILESCC1=CC(C)(C)N=CC=N1
InChIInChI=1S/C8H12N2/c1-7-6-8(2,3)10-5-4-9-7/h4-6H,1-3H3
InChIKeyHJMINEOLHBPMAJ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.82
Rot. Bonds

About 5,5,7-trimethyl-1,4-diazepine

5,5,7-trimethyl-1,4-diazepine (PubChem CID 101208544) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5,5,7-trimethyl-1,4-diazepine.

Molecular Properties

Compound Name5,5,7-trimethyl-1,4-diazepine
PubChem CID101208544
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5,5,7-trimethyl-1,4-diazepine
SMILESCC1=CC(C)(C)N=CC=N1
InChIInChI=1S/C8H12N2/c1-7-6-8(2,3)10-5-4-9-7/h4-6H,1-3H3
InChIKeyHJMINEOLHBPMAJ-UHFFFAOYSA-N
XLogP1.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,5,7-trimethyl-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 5,5,7-trimethyl-1,4-diazepine?
The IUPAC name of 5,5,7-trimethyl-1,4-diazepine (CID 101208544) is 5,5,7-trimethyl-1,4-diazepine.
What is the SMILES notation for 5,5,7-trimethyl-1,4-diazepine?
The canonical SMILES for 5,5,7-trimethyl-1,4-diazepine is CC1=CC(C)(C)N=CC=N1.
What is the InChIKey of 5,5,7-trimethyl-1,4-diazepine?
The InChIKey is HJMINEOLHBPMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-6-8(2,3)10-5-4-9-7/h4-6H,1-3H3.
What are the key properties of 5,5,7-trimethyl-1,4-diazepine?
5,5,7-trimethyl-1,4-diazepine has a molecular weight of 136.20 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-1,4-diazepine is sourced from PubChem (CID 101208544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).