2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride

C7H14Cl2N4O — CID 50944314

IUPAC2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
SMILESCl.Cl.NC1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C7H12N4O.2ClH/c8-6-10-5(12)7(11-6)1-3-9-4-2-7;;/h9H,1-4H2,(H3,8,10,11,12);2*1H
InChIKeyWYTIOEQRJCJGHZ-UHFFFAOYSA-N
MW241.12 g/mol
LogP-0.60
Rot. Bonds

About 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride

2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride (PubChem CID 50944314) has the molecular formula C7H14Cl2N4O and a molecular weight of 241.12 g/mol. Its IUPAC name is 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
PubChem CID50944314
Molecular FormulaC7H14Cl2N4O
Molecular Weight241.12 g/mol
Exact Mass240.05
IUPAC Name2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride
SMILESCl.Cl.NC1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C7H12N4O.2ClH/c8-6-10-5(12)7(11-6)1-3-9-4-2-7;;/h9H,1-4H2,(H3,8,10,11,12);2*1H
InChIKeyWYTIOEQRJCJGHZ-UHFFFAOYSA-N
XLogP-0.60
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride 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 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The IUPAC name of 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride (CID 50944314) is 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride.
What is the SMILES notation for 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The canonical SMILES for 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride is Cl.Cl.NC1=NC2(CCNCC2)C(=O)N1.
What is the InChIKey of 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
The InChIKey is WYTIOEQRJCJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.2ClH/c8-6-10-5(12)7(11-6)1-3-9-4-2-7;;/h9H,1-4H2,(H3,8,10,11,12);2*1H.
What are the key properties of 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride?
2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride has a molecular weight of 241.12 g/mol, XLogP of -0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one;dihydrochloride is sourced from PubChem (CID 50944314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).