1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride

C10H14ClN3O — CID 69400856

IUPAC1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
SMILESCl.Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C10H13N3O.ClH/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14;/h2-5H,1,6-7,11H2,(H,12,14);1H
InChIKeyVONPLCSBPNXHOX-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.61
Rot. Bonds1

About 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride

1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride (PubChem CID 69400856) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
PubChem CID69400856
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride
SMILESCl.Nc1ccc(N2CCCNC2=O)cc1
InChIInChI=1S/C10H13N3O.ClH/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14;/h2-5H,1,6-7,11H2,(H,12,14);1H
InChIKeyVONPLCSBPNXHOX-UHFFFAOYSA-N
XLogP1.61
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride (CID 69400856) is 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride is Cl.Nc1ccc(N2CCCNC2=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride?
The InChIKey is VONPLCSBPNXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O.ClH/c11-8-2-4-9(5-3-8)13-7-1-6-12-10(13)14;/h2-5H,1,6-7,11H2,(H,12,14);1H.
What are the key properties of 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride?
1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride has a molecular weight of 227.70 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-1,3-diazinan-2-one;hydrochloride is sourced from PubChem (CID 69400856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).