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

C6H12ClN3O2 — CID 76844936

IUPAC1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.NCCN1CCC(=O)NC1=O
InChIInChI=1S/C6H11N3O2.ClH/c7-2-4-9-3-1-5(10)8-6(9)11;/h1-4,7H2,(H,8,10,11);1H
InChIKeyVRQZMNXCPHRCME-UHFFFAOYSA-N
MW193.63 g/mol
LogP-0.69
Rot. Bonds2

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

1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride (PubChem CID 76844936) has the molecular formula C6H12ClN3O2 and a molecular weight of 193.63 g/mol. Its IUPAC name is 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride
PubChem CID76844936
Molecular FormulaC6H12ClN3O2
Molecular Weight193.63 g/mol
Exact Mass193.06
IUPAC Name1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride
SMILESCl.NCCN1CCC(=O)NC1=O
InChIInChI=1S/C6H11N3O2.ClH/c7-2-4-9-3-1-5(10)8-6(9)11;/h1-4,7H2,(H,8,10,11);1H
InChIKeyVRQZMNXCPHRCME-UHFFFAOYSA-N
XLogP-0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride (CID 76844936) is 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride is Cl.NCCN1CCC(=O)NC1=O.
What is the InChIKey of 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride?
The InChIKey is VRQZMNXCPHRCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2.ClH/c7-2-4-9-3-1-5(10)8-6(9)11;/h1-4,7H2,(H,8,10,11);1H.
What are the key properties of 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride?
1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride has a molecular weight of 193.63 g/mol, XLogP of -0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-1,3-diazinane-2,4-dione;hydrochloride is sourced from PubChem (CID 76844936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).