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

C5H11ClN2O — CID 122163940

IUPAC1-methyl-1,3-diazinan-2-one;hydrochloride
SMILESCN1CCCNC1=O.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-7-4-2-3-6-5(7)8;/h2-4H2,1H3,(H,6,8);1H
InChIKeyHDGQTYSLJDXVKY-UHFFFAOYSA-N
MW150.61 g/mol
LogP0.45
Rot. Bonds

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

1-methyl-1,3-diazinan-2-one;hydrochloride (PubChem CID 122163940) has the molecular formula C5H11ClN2O and a molecular weight of 150.61 g/mol. Its IUPAC name is 1-methyl-1,3-diazinan-2-one;hydrochloride.

Molecular Properties

Compound Name1-methyl-1,3-diazinan-2-one;hydrochloride
PubChem CID122163940
Molecular FormulaC5H11ClN2O
Molecular Weight150.61 g/mol
Exact Mass150.06
IUPAC Name1-methyl-1,3-diazinan-2-one;hydrochloride
SMILESCN1CCCNC1=O.Cl
InChIInChI=1S/C5H10N2O.ClH/c1-7-4-2-3-6-5(7)8;/h2-4H2,1H3,(H,6,8);1H
InChIKeyHDGQTYSLJDXVKY-UHFFFAOYSA-N
XLogP0.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1,3-diazinan-2-one;hydrochloride?
The IUPAC name of 1-methyl-1,3-diazinan-2-one;hydrochloride (CID 122163940) is 1-methyl-1,3-diazinan-2-one;hydrochloride.
What is the SMILES notation for 1-methyl-1,3-diazinan-2-one;hydrochloride?
The canonical SMILES for 1-methyl-1,3-diazinan-2-one;hydrochloride is CN1CCCNC1=O.Cl.
What is the InChIKey of 1-methyl-1,3-diazinan-2-one;hydrochloride?
The InChIKey is HDGQTYSLJDXVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.ClH/c1-7-4-2-3-6-5(7)8;/h2-4H2,1H3,(H,6,8);1H.
What are the key properties of 1-methyl-1,3-diazinan-2-one;hydrochloride?
1-methyl-1,3-diazinan-2-one;hydrochloride has a molecular weight of 150.61 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazinan-2-one;hydrochloride is sourced from PubChem (CID 122163940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).