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

C7H12N4O — CID 50944315

IUPAC2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESNC1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C7H12N4O/c8-6-10-5(12)7(11-6)1-3-9-4-2-7/h9H,1-4H2,(H3,8,10,11,12)
InChIKeyTXVFSPSHCYEXGF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-1.45
Rot. Bonds

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

2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 50944315) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID50944315
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESNC1=NC2(CCNCC2)C(=O)N1
InChIInChI=1S/C7H12N4O/c8-6-10-5(12)7(11-6)1-3-9-4-2-7/h9H,1-4H2,(H3,8,10,11,12)
InChIKeyTXVFSPSHCYEXGF-UHFFFAOYSA-N
XLogP-1.45
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 50944315) is 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one is NC1=NC2(CCNCC2)C(=O)N1.
What is the InChIKey of 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is TXVFSPSHCYEXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c8-6-10-5(12)7(11-6)1-3-9-4-2-7/h9H,1-4H2,(H3,8,10,11,12).
What are the key properties of 2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-amino-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 168.20 g/mol, XLogP of -1.45, 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 is sourced from PubChem (CID 50944315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).