1,3-diazinan-2-one;hydrochloride

C4H9ClN2O — CID 78169824

IUPAC1,3-diazinan-2-one;hydrochloride
SMILESCl.O=C1NCCCN1
InChIInChI=1S/C4H8N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H2,(H2,5,6,7);1H
InChIKeyGQVMZMRHRBRNLD-UHFFFAOYSA-N
MW136.58 g/mol
LogP0.11
Rot. Bonds

About 1,3-diazinan-2-one;hydrochloride

1,3-diazinan-2-one;hydrochloride (PubChem CID 78169824) has the molecular formula C4H9ClN2O and a molecular weight of 136.58 g/mol. Its IUPAC name is 1,3-diazinan-2-one;hydrochloride.

Molecular Properties

Compound Name1,3-diazinan-2-one;hydrochloride
PubChem CID78169824
Molecular FormulaC4H9ClN2O
Molecular Weight136.58 g/mol
Exact Mass136.04
IUPAC Name1,3-diazinan-2-one;hydrochloride
SMILESCl.O=C1NCCCN1
InChIInChI=1S/C4H8N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H2,(H2,5,6,7);1H
InChIKeyGQVMZMRHRBRNLD-UHFFFAOYSA-N
XLogP0.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.58
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-diazinan-2-one;hydrochloride?
The IUPAC name of 1,3-diazinan-2-one;hydrochloride (CID 78169824) is 1,3-diazinan-2-one;hydrochloride.
What is the SMILES notation for 1,3-diazinan-2-one;hydrochloride?
The canonical SMILES for 1,3-diazinan-2-one;hydrochloride is Cl.O=C1NCCCN1.
What is the InChIKey of 1,3-diazinan-2-one;hydrochloride?
The InChIKey is GQVMZMRHRBRNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.ClH/c7-4-5-2-1-3-6-4;/h1-3H2,(H2,5,6,7);1H.
What are the key properties of 1,3-diazinan-2-one;hydrochloride?
1,3-diazinan-2-one;hydrochloride has a molecular weight of 136.58 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazinan-2-one;hydrochloride is sourced from PubChem (CID 78169824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).