5,7-dimethyl-3H-diazepine

C7H10N2 — CID 15619251

IUPAC5,7-dimethyl-3H-diazepine
SMILESCC1=CCN=NC(C)=C1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-9-7(2)5-6/h3,5H,4H2,1-2H3
InChIKeyJEYFORCMGHGLTC-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.30
Rot. Bonds

About 5,7-dimethyl-3H-diazepine

5,7-dimethyl-3H-diazepine (PubChem CID 15619251) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 5,7-dimethyl-3H-diazepine.

Molecular Properties

Compound Name5,7-dimethyl-3H-diazepine
PubChem CID15619251
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name5,7-dimethyl-3H-diazepine
SMILESCC1=CCN=NC(C)=C1
InChIInChI=1S/C7H10N2/c1-6-3-4-8-9-7(2)5-6/h3,5H,4H2,1-2H3
InChIKeyJEYFORCMGHGLTC-UHFFFAOYSA-N
XLogP2.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethyl-3H-diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2E,4E)-4-(fluoromethyl)hepta-2,4,6-trien-3-yl]-methyldiazene
CID 118543999
3,5,7-Trimethyl-3H-1,2-diazepine
CID 15619252
3,5-dimethyl-7-propan-2-yl-3H-diazepine
CID 45096244
5,7-dimethyl-3-propan-2-yl-3H-diazepine
CID 45096252
2-Azido-5-propan-2-ylidenecyclopenta-1,3-diene
CID 134861620
3,7-Diethyl-5-methyl-1,2(4H)-diazepine
CID 557158
6-methyl-3H-diazepine
CID 68092515
7-ethyl-3H-diazepine
CID 68405229
3-Propylidenediazepine
CID 69059164
3,3-Dimethyl-5-(2-methylprop-1-enyl)pyrazole
CID 70595726
(3E,4Z)-3,4-di(ethylidene)pyridazine
CID 88861141
(3E,5E)-3-azido-6-methylocta-3,5-diene
CID 89301366

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3H-diazepine?
The IUPAC name of 5,7-dimethyl-3H-diazepine (CID 15619251) is 5,7-dimethyl-3H-diazepine.
What is the SMILES notation for 5,7-dimethyl-3H-diazepine?
The canonical SMILES for 5,7-dimethyl-3H-diazepine is CC1=CCN=NC(C)=C1.
What is the InChIKey of 5,7-dimethyl-3H-diazepine?
The InChIKey is JEYFORCMGHGLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-4-8-9-7(2)5-6/h3,5H,4H2,1-2H3.
What are the key properties of 5,7-dimethyl-3H-diazepine?
5,7-dimethyl-3H-diazepine has a molecular weight of 122.17 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3H-diazepine is sourced from PubChem (CID 15619251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).