1H-1,4-diazepine;hydrochloride

C5H7ClN2 — CID 22390470

IUPAC1H-1,4-diazepine;hydrochloride
SMILESC1=CNC=CN=C1.Cl
InChIInChI=1S/C5H6N2.ClH/c1-2-6-4-5-7-3-1;/h1-6H;1H
InChIKeyUGAWUQJAEBISEV-UHFFFAOYSA-N
MW130.58 g/mol
LogP1.07
Rot. Bonds

About 1H-1,4-diazepine;hydrochloride

1H-1,4-diazepine;hydrochloride (PubChem CID 22390470) has the molecular formula C5H7ClN2 and a molecular weight of 130.58 g/mol. Its IUPAC name is 1H-1,4-diazepine;hydrochloride.

Molecular Properties

Compound Name1H-1,4-diazepine;hydrochloride
PubChem CID22390470
Molecular FormulaC5H7ClN2
Molecular Weight130.58 g/mol
Exact Mass130.03
IUPAC Name1H-1,4-diazepine;hydrochloride
SMILESC1=CNC=CN=C1.Cl
InChIInChI=1S/C5H6N2.ClH/c1-2-6-4-5-7-3-1;/h1-6H;1H
InChIKeyUGAWUQJAEBISEV-UHFFFAOYSA-N
XLogP1.07
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.58
LogP ≤ 51.07
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;hydrochloride?
The IUPAC name of 1H-1,4-diazepine;hydrochloride (CID 22390470) is 1H-1,4-diazepine;hydrochloride.
What is the SMILES notation for 1H-1,4-diazepine;hydrochloride?
The canonical SMILES for 1H-1,4-diazepine;hydrochloride is C1=CNC=CN=C1.Cl.
What is the InChIKey of 1H-1,4-diazepine;hydrochloride?
The InChIKey is UGAWUQJAEBISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2.ClH/c1-2-6-4-5-7-3-1;/h1-6H;1H.
What are the key properties of 1H-1,4-diazepine;hydrochloride?
1H-1,4-diazepine;hydrochloride has a molecular weight of 130.58 g/mol, XLogP of 1.07, 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;hydrochloride is sourced from PubChem (CID 22390470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).