6-ethyl-2H-1,4-diazepine

C7H10N2 — CID 146427290

IUPAC6-ethyl-2H-1,4-diazepine
SMILESCCC1=CN=CCN=C1
InChIInChI=1S/C7H10N2/c1-2-7-5-8-3-4-9-6-7/h3,5-6H,2,4H2,1H3
InChIKeyDSRNDQUWNRIFON-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.44
Rot. Bonds1

About 6-ethyl-2H-1,4-diazepine

6-ethyl-2H-1,4-diazepine (PubChem CID 146427290) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-ethyl-2H-1,4-diazepine.

Molecular Properties

Compound Name6-ethyl-2H-1,4-diazepine
PubChem CID146427290
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name6-ethyl-2H-1,4-diazepine
SMILESCCC1=CN=CCN=C1
InChIInChI=1S/C7H10N2/c1-2-7-5-8-3-4-9-6-7/h3,5-6H,2,4H2,1H3
InChIKeyDSRNDQUWNRIFON-UHFFFAOYSA-N
XLogP1.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2H-1,4-diazepine?
The IUPAC name of 6-ethyl-2H-1,4-diazepine (CID 146427290) is 6-ethyl-2H-1,4-diazepine.
What is the SMILES notation for 6-ethyl-2H-1,4-diazepine?
The canonical SMILES for 6-ethyl-2H-1,4-diazepine is CCC1=CN=CCN=C1.
What is the InChIKey of 6-ethyl-2H-1,4-diazepine?
The InChIKey is DSRNDQUWNRIFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-2-7-5-8-3-4-9-6-7/h3,5-6H,2,4H2,1H3.
What are the key properties of 6-ethyl-2H-1,4-diazepine?
6-ethyl-2H-1,4-diazepine has a molecular weight of 122.17 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2H-1,4-diazepine is sourced from PubChem (CID 146427290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).