6-methyl-5H-1,3-diazepine

C6H8N2 — CID 123768170

IUPAC6-methyl-5H-1,3-diazepine
SMILESCC1=CN=CN=CC1
InChIInChI=1S/C6H8N2/c1-6-2-3-7-5-8-4-6/h3-5H,2H2,1H3
InChIKeyHTBDGEJOGMZDMF-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.39
Rot. Bonds

About 6-methyl-5H-1,3-diazepine

6-methyl-5H-1,3-diazepine (PubChem CID 123768170) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 6-methyl-5H-1,3-diazepine.

Molecular Properties

Compound Name6-methyl-5H-1,3-diazepine
PubChem CID123768170
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name6-methyl-5H-1,3-diazepine
SMILESCC1=CN=CN=CC1
InChIInChI=1S/C6H8N2/c1-6-2-3-7-5-8-4-6/h3-5H,2H2,1H3
InChIKeyHTBDGEJOGMZDMF-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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Related Compounds

5-ethyl-2H-pyrimidin-2-ide;yttrium
CID 59968683
2-methyl-5H-1,3-diazepine
CID 123843433
2,5-Dimethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 123929868
2-Methyl-5-methylidene-1,3-diazepine
CID 126580929
6-Ethyl-1,4-diazacyclohepta-2,3,5,7-tetraene
CID 130250146
N'-methyl-N-(2-methylidenebutylidene)ethanimidamide
CID 132107369
1,2,6-Trimethyl-2,5-dihydro-1,3-diazepine
CID 134566819
2-methyl-N'-[(E)-2-methylbut-1-enyl]-N-methylidenepropanimidamide
CID 135213129
N'-methyl-N-(2-methylidenebutylidene)methanimidamide
CID 137390860
5-methyl-5H-1,3-diazepine
CID 137447391
5-Ethyl-1,3-diazacyclohepta-2,4,6,7-tetraene
CID 138630854
2,6-dimethyl-5H-1,3-diazepine
CID 138718213

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5H-1,3-diazepine?
The IUPAC name of 6-methyl-5H-1,3-diazepine (CID 123768170) is 6-methyl-5H-1,3-diazepine.
What is the SMILES notation for 6-methyl-5H-1,3-diazepine?
The canonical SMILES for 6-methyl-5H-1,3-diazepine is CC1=CN=CN=CC1.
What is the InChIKey of 6-methyl-5H-1,3-diazepine?
The InChIKey is HTBDGEJOGMZDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-6-2-3-7-5-8-4-6/h3-5H,2H2,1H3.
What are the key properties of 6-methyl-5H-1,3-diazepine?
6-methyl-5H-1,3-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 6-methyl-5H-1,3-diazepine is sourced from PubChem (CID 123768170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).