5-methyl-6H-1,4-diazepine

C6H8N2 — CID 142828320

IUPAC5-methyl-6H-1,4-diazepine
SMILESCC1=NC=CN=CC1
InChIInChI=1S/C6H8N2/c1-6-2-3-7-4-5-8-6/h3-5H,2H2,1H3
InChIKeyUSSXLWRUCCFYGG-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.39
Rot. Bonds

About 5-methyl-6H-1,4-diazepine

5-methyl-6H-1,4-diazepine (PubChem CID 142828320) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 5-methyl-6H-1,4-diazepine.

Molecular Properties

Compound Name5-methyl-6H-1,4-diazepine
PubChem CID142828320
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name5-methyl-6H-1,4-diazepine
SMILESCC1=NC=CN=CC1
InChIInChI=1S/C6H8N2/c1-6-2-3-7-4-5-8-6/h3-5H,2H2,1H3
InChIKeyUSSXLWRUCCFYGG-UHFFFAOYSA-N
XLogP1.39
TPSA24.72 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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6H-1,4-diazepine?
The IUPAC name of 5-methyl-6H-1,4-diazepine (CID 142828320) is 5-methyl-6H-1,4-diazepine.
What is the SMILES notation for 5-methyl-6H-1,4-diazepine?
The canonical SMILES for 5-methyl-6H-1,4-diazepine is CC1=NC=CN=CC1.
What is the InChIKey of 5-methyl-6H-1,4-diazepine?
The InChIKey is USSXLWRUCCFYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-2-3-7-4-5-8-6/h3-5H,2H2,1H3.
What are the key properties of 5-methyl-6H-1,4-diazepine?
5-methyl-6H-1,4-diazepine has a molecular weight of 108.14 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6H-1,4-diazepine is sourced from PubChem (CID 142828320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).