4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one

C15H20N4O — CID 79961988

IUPAC4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H20N4O/c1-2-19-14(20)17-13(16)15(19)8-9-18(11-15)10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,16,17,20)
InChIKeySTLQNMXYQLQWIE-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.44
Rot. Bonds3

About 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one

4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one (PubChem CID 79961988) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
PubChem CID79961988
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one
SMILESCCN1C(=O)N=C(N)C12CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H20N4O/c1-2-19-14(20)17-13(16)15(19)8-9-18(11-15)10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,16,17,20)
InChIKeySTLQNMXYQLQWIE-UHFFFAOYSA-N
XLogP1.44
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-benzyl-8-methyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967037
4-amino-8-benzyl-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 58949885
4-amino-1-benzyl-7-oxa-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967312
4-amino-1-benzyl-7,7-dimethyl-8-oxa-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79972969
9-benzyl-1-ethyl-4-imino-1,3,9-triazaspiro[4.5]decan-2-one
CID 138390922
8-benzyl-1-ethyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 160986677
4-amino-1-benzyl-9-oxa-1,3-diazaspiro[4.6]undec-3-en-2-one
CID 79967038
4-amino-1-benzyl-9,9-dimethyl-1,3-diazaspiro[4.4]non-3-en-2-one
CID 79967773
4-amino-1-ethyl-8-methyl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967912
4-amino-8-ethyl-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one
CID 79967190
4-amino-9-benzyl-1,3,9-triazaspiro[4.5]dec-3-en-2-one
CID 79960832
1,8-dibenzyl-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143670

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The IUPAC name of 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one (CID 79961988) is 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The canonical SMILES for 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one is CCN1C(=O)N=C(N)C12CCN(Cc1ccccc1)C2.
What is the InChIKey of 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
The InChIKey is STLQNMXYQLQWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-19-14(20)17-13(16)15(19)8-9-18(11-15)10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H2,16,17,20).
What are the key properties of 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one?
4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-benzyl-1-ethyl-1,3,7-triazaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 79961988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).