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

C8H14N4O — CID 82996111

IUPAC2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=C(N)NC2=O
InChIInChI=1S/C8H14N4O/c1-12-4-2-8(3-5-12)6(13)10-7(9)11-8/h2-5H2,1H3,(H3,9,10,11,13)
InChIKeyDJFQHQYPSRJDGI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-1.10
Rot. Bonds

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

2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (PubChem CID 82996111) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
PubChem CID82996111
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one
SMILESCN1CCC2(CC1)N=C(N)NC2=O
InChIInChI=1S/C8H14N4O/c1-12-4-2-8(3-5-12)6(13)10-7(9)11-8/h2-5H2,1H3,(H3,9,10,11,13)
InChIKeyDJFQHQYPSRJDGI-UHFFFAOYSA-N
XLogP-1.10
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one (CID 82996111) is 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is CN1CCC2(CC1)N=C(N)NC2=O.
What is the InChIKey of 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
The InChIKey is DJFQHQYPSRJDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-4-2-8(3-5-12)6(13)10-7(9)11-8/h2-5H2,1H3,(H3,9,10,11,13).
What are the key properties of 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one?
2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one has a molecular weight of 182.23 g/mol, XLogP of -1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 82996111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).