8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one

C5H8N4O — CID 79961367

IUPAC8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one
SMILESNC1=NC(=O)NC12CNC2
InChIInChI=1S/C5H8N4O/c6-3-5(1-7-2-5)9-4(10)8-3/h7H,1-2H2,(H3,6,8,9,10)
InChIKeyNMFQMZLEYROOEH-UHFFFAOYSA-N
MW140.15 g/mol
LogP-1.59
Rot. Bonds

About 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one

8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one (PubChem CID 79961367) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one.

Molecular Properties

Compound Name8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one
PubChem CID79961367
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC Name8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one
SMILESNC1=NC(=O)NC12CNC2
InChIInChI=1S/C5H8N4O/c6-3-5(1-7-2-5)9-4(10)8-3/h7H,1-2H2,(H3,6,8,9,10)
InChIKeyNMFQMZLEYROOEH-UHFFFAOYSA-N
XLogP-1.59
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one?
The IUPAC name of 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one (CID 79961367) is 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one.
What is the SMILES notation for 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one?
The canonical SMILES for 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one is NC1=NC(=O)NC12CNC2.
What is the InChIKey of 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one?
The InChIKey is NMFQMZLEYROOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c6-3-5(1-7-2-5)9-4(10)8-3/h7H,1-2H2,(H3,6,8,9,10).
What are the key properties of 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one?
8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one has a molecular weight of 140.15 g/mol, XLogP of -1.59, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2,5,7-triazaspiro[3.4]oct-7-en-6-one is sourced from PubChem (CID 79961367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).