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

C8H14N4O — CID 79960229

IUPAC4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCN1CCC2(CC1)NC(=O)N=C2N
InChIInChI=1S/C8H14N4O/c1-12-4-2-8(3-5-12)6(9)10-7(13)11-8/h2-5H2,1H3,(H3,9,10,11,13)
InChIKeyDIGVAGZETVIGBR-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.47
Rot. Bonds

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

4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (PubChem CID 79960229) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
PubChem CID79960229
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
SMILESCN1CCC2(CC1)NC(=O)N=C2N
InChIInChI=1S/C8H14N4O/c1-12-4-2-8(3-5-12)6(9)10-7(13)11-8/h2-5H2,1H3,(H3,9,10,11,13)
InChIKeyDIGVAGZETVIGBR-UHFFFAOYSA-N
XLogP-0.47
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one (CID 79960229) is 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is CN1CCC2(CC1)NC(=O)N=C2N.
What is the InChIKey of 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
The InChIKey is DIGVAGZETVIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-4-2-8(3-5-12)6(9)10-7(13)11-8/h2-5H2,1H3,(H3,9,10,11,13).
What are the key properties of 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one?
4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 79960229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).