2,7-dihydro-1H-1,4-diazepine

C5H8N2 — CID 58550590

IUPAC2,7-dihydro-1H-1,4-diazepine
SMILESC1=CN=CCNC1
InChIInChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h1-2,4,7H,3,5H2
InChIKeyKJUNDWRBGHRESU-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.17
Rot. Bonds

About 2,7-dihydro-1H-1,4-diazepine

2,7-dihydro-1H-1,4-diazepine (PubChem CID 58550590) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2,7-dihydro-1H-1,4-diazepine.

Molecular Properties

Compound Name2,7-dihydro-1H-1,4-diazepine
PubChem CID58550590
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2,7-dihydro-1H-1,4-diazepine
SMILESC1=CN=CCNC1
InChIInChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h1-2,4,7H,3,5H2
InChIKeyKJUNDWRBGHRESU-UHFFFAOYSA-N
XLogP0.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,7-dihydro-1H-1,4-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 2,7-dihydro-1H-1,4-diazepine?
The IUPAC name of 2,7-dihydro-1H-1,4-diazepine (CID 58550590) is 2,7-dihydro-1H-1,4-diazepine.
What is the SMILES notation for 2,7-dihydro-1H-1,4-diazepine?
The canonical SMILES for 2,7-dihydro-1H-1,4-diazepine is C1=CN=CCNC1.
What is the InChIKey of 2,7-dihydro-1H-1,4-diazepine?
The InChIKey is KJUNDWRBGHRESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-6-4-5-7-3-1/h1-2,4,7H,3,5H2.
What are the key properties of 2,7-dihydro-1H-1,4-diazepine?
2,7-dihydro-1H-1,4-diazepine has a molecular weight of 96.13 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydro-1H-1,4-diazepine is sourced from PubChem (CID 58550590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).