1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride

C11H14ClN3O2 — CID 170914372

IUPAC1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCc1ccc(N2CCC(=O)NC2=O)cc1N.Cl
InChIInChI=1S/C11H13N3O2.ClH/c1-7-2-3-8(6-9(7)12)14-5-4-10(15)13-11(14)16;/h2-3,6H,4-5,12H2,1H3,(H,13,15,16);1H
InChIKeyFESUNUVJRPFRPO-UHFFFAOYSA-N
MW255.71 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride

1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 170914372) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.71 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID170914372
Molecular FormulaC11H14ClN3O2
Molecular Weight255.71 g/mol
Exact Mass255.08
IUPAC Name1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCc1ccc(N2CCC(=O)NC2=O)cc1N.Cl
InChIInChI=1S/C11H13N3O2.ClH/c1-7-2-3-8(6-9(7)12)14-5-4-10(15)13-11(14)16;/h2-3,6H,4-5,12H2,1H3,(H,13,15,16);1H
InChIKeyFESUNUVJRPFRPO-UHFFFAOYSA-N
XLogP1.45
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride (CID 170914372) is 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride is Cc1ccc(N2CCC(=O)NC2=O)cc1N.Cl.
What is the InChIKey of 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is FESUNUVJRPFRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2.ClH/c1-7-2-3-8(6-9(7)12)14-5-4-10(15)13-11(14)16;/h2-3,6H,4-5,12H2,1H3,(H,13,15,16);1H.
What are the key properties of 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride?
1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 170914372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).