1-methyl-1,4-diazepine

C6H8N2 — CID 22061366

IUPAC1-methyl-1,4-diazepine
SMILESCN1C=CC=NC=C1
InChIInChI=1S/C6H8N2/c1-8-5-2-3-7-4-6-8/h2-6H,1H3
InChIKeyGBIOAZWZICXODO-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.99
Rot. Bonds

About 1-methyl-1,4-diazepine

1-methyl-1,4-diazepine (PubChem CID 22061366) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 1-methyl-1,4-diazepine.

Molecular Properties

Compound Name1-methyl-1,4-diazepine
PubChem CID22061366
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name1-methyl-1,4-diazepine
SMILESCN1C=CC=NC=C1
InChIInChI=1S/C6H8N2/c1-8-5-2-3-7-4-6-8/h2-6H,1H3
InChIKeyGBIOAZWZICXODO-UHFFFAOYSA-N
XLogP0.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-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

Related Compounds

methanaminium, N-[(2E)-3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 638326
Methanaminium, N-[3-(dimethylamino)-2-propenylidene]-N-methyl-
CID 3994380
[(E)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium perchlorate
CID 10878881
1-(Prop-1-en-1-yl)-1,2-dihydropyrazine
CID 71361020
Methanaminium, N-[5-(dimethylamino)-2,4-pentadienylidene]-N-methyl-
CID 17267
1-Methylpyrimidine
CID 18974088
2H-1,4-diazepine
CID 21940662
N,S-dimethyl-dihydropyrimidine
CID 22604951
n-Vinylpyrimidine
CID 23364352
1,4-Diazacyclohepta-2,4,6,7-tetraene
CID 85770575
N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 91606293
N-[(2E,4E)-5-(dimethylamino)penta-2,4-dien-1-ylidene]-N-methylmethanaminium
CID 638325

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,4-diazepine?
The IUPAC name of 1-methyl-1,4-diazepine (CID 22061366) is 1-methyl-1,4-diazepine.
What is the SMILES notation for 1-methyl-1,4-diazepine?
The canonical SMILES for 1-methyl-1,4-diazepine is CN1C=CC=NC=C1.
What is the InChIKey of 1-methyl-1,4-diazepine?
The InChIKey is GBIOAZWZICXODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-8-5-2-3-7-4-6-8/h2-6H,1H3.
What are the key properties of 1-methyl-1,4-diazepine?
1-methyl-1,4-diazepine has a molecular weight of 108.14 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,4-diazepine is sourced from PubChem (CID 22061366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).