5-methyl-4,5-dihydro-1H-1,3-diazepine

C6H10N2 — CID 91585897

IUPAC5-methyl-4,5-dihydro-1H-1,3-diazepine
SMILESCC1C=CNC=NC1
InChIInChI=1S/C6H10N2/c1-6-2-3-7-5-8-4-6/h2-3,5-6H,4H2,1H3,(H,7,8)
InChIKeyZMVCSHKZMNOIAA-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.77
Rot. Bonds

About 5-methyl-4,5-dihydro-1H-1,3-diazepine

5-methyl-4,5-dihydro-1H-1,3-diazepine (PubChem CID 91585897) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 5-methyl-4,5-dihydro-1H-1,3-diazepine.

Molecular Properties

Compound Name5-methyl-4,5-dihydro-1H-1,3-diazepine
PubChem CID91585897
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name5-methyl-4,5-dihydro-1H-1,3-diazepine
SMILESCC1C=CNC=NC1
InChIInChI=1S/C6H10N2/c1-6-2-3-7-5-8-4-6/h2-3,5-6H,4H2,1H3,(H,7,8)
InChIKeyZMVCSHKZMNOIAA-UHFFFAOYSA-N
XLogP0.77
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydro-1H-1,3-diazepine?
The IUPAC name of 5-methyl-4,5-dihydro-1H-1,3-diazepine (CID 91585897) is 5-methyl-4,5-dihydro-1H-1,3-diazepine.
What is the SMILES notation for 5-methyl-4,5-dihydro-1H-1,3-diazepine?
The canonical SMILES for 5-methyl-4,5-dihydro-1H-1,3-diazepine is CC1C=CNC=NC1.
What is the InChIKey of 5-methyl-4,5-dihydro-1H-1,3-diazepine?
The InChIKey is ZMVCSHKZMNOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-6-2-3-7-5-8-4-6/h2-3,5-6H,4H2,1H3,(H,7,8).
What are the key properties of 5-methyl-4,5-dihydro-1H-1,3-diazepine?
5-methyl-4,5-dihydro-1H-1,3-diazepine has a molecular weight of 110.16 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydro-1H-1,3-diazepine is sourced from PubChem (CID 91585897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).