1H-1,4-diazepine;tetrahydrochloride

C5H10Cl4N2 — CID 22933101

IUPAC1H-1,4-diazepine;tetrahydrochloride
SMILESC1=CNC=CN=C1.Cl.Cl.Cl.Cl
InChIInChI=1S/C5H6N2.4ClH/c1-2-6-4-5-7-3-1;;;;/h1-6H;4*1H
InChIKeyACGUZOSTIDHCFD-UHFFFAOYSA-N
MW239.96 g/mol
LogP2.33
Rot. Bonds

About 1H-1,4-diazepine;tetrahydrochloride

1H-1,4-diazepine;tetrahydrochloride (PubChem CID 22933101) has the molecular formula C5H10Cl4N2 and a molecular weight of 239.96 g/mol. Its IUPAC name is 1H-1,4-diazepine;tetrahydrochloride.

Molecular Properties

Compound Name1H-1,4-diazepine;tetrahydrochloride
PubChem CID22933101
Molecular FormulaC5H10Cl4N2
Molecular Weight239.96 g/mol
Exact Mass237.96
IUPAC Name1H-1,4-diazepine;tetrahydrochloride
SMILESC1=CNC=CN=C1.Cl.Cl.Cl.Cl
InChIInChI=1S/C5H6N2.4ClH/c1-2-6-4-5-7-3-1;;;;/h1-6H;4*1H
InChIKeyACGUZOSTIDHCFD-UHFFFAOYSA-N
XLogP2.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.96
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-1,4-diazepine;tetrahydrochloride?
The IUPAC name of 1H-1,4-diazepine;tetrahydrochloride (CID 22933101) is 1H-1,4-diazepine;tetrahydrochloride.
What is the SMILES notation for 1H-1,4-diazepine;tetrahydrochloride?
The canonical SMILES for 1H-1,4-diazepine;tetrahydrochloride is C1=CNC=CN=C1.Cl.Cl.Cl.Cl.
What is the InChIKey of 1H-1,4-diazepine;tetrahydrochloride?
The InChIKey is ACGUZOSTIDHCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.4ClH/c1-2-6-4-5-7-3-1;;;;/h1-6H;4*1H.
What are the key properties of 1H-1,4-diazepine;tetrahydrochloride?
1H-1,4-diazepine;tetrahydrochloride has a molecular weight of 239.96 g/mol, XLogP of 2.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,4-diazepine;tetrahydrochloride is sourced from PubChem (CID 22933101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).