2-methyl-1H-1,3-diazepine

C6H8N2 — CID 56992381

IUPAC2-methyl-1H-1,3-diazepine
SMILESCC1=NC=CC=CN1
InChIInChI=1S/C6H8N2/c1-6-7-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
InChIKeyFLBQYLRGEMXFCZ-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds

About 2-methyl-1H-1,3-diazepine

2-methyl-1H-1,3-diazepine (PubChem CID 56992381) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2-methyl-1H-1,3-diazepine.

Molecular Properties

Compound Name2-methyl-1H-1,3-diazepine
PubChem CID56992381
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2-methyl-1H-1,3-diazepine
SMILESCC1=NC=CC=CN1
InChIInChI=1S/C6H8N2/c1-6-7-4-2-3-5-8-6/h2-5H,1H3,(H,7,8)
InChIKeyFLBQYLRGEMXFCZ-UHFFFAOYSA-N
XLogP1.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1H-1,3-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 2-methyl-1H-1,3-diazepine?
The IUPAC name of 2-methyl-1H-1,3-diazepine (CID 56992381) is 2-methyl-1H-1,3-diazepine.
What is the SMILES notation for 2-methyl-1H-1,3-diazepine?
The canonical SMILES for 2-methyl-1H-1,3-diazepine is CC1=NC=CC=CN1.
What is the InChIKey of 2-methyl-1H-1,3-diazepine?
The InChIKey is FLBQYLRGEMXFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-7-4-2-3-5-8-6/h2-5H,1H3,(H,7,8).
What are the key properties of 2-methyl-1H-1,3-diazepine?
2-methyl-1H-1,3-diazepine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-1,3-diazepine is sourced from PubChem (CID 56992381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).