N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C22H32N8O3 — CID 144885576

IUPACN-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCCCC3)CC2C)COC1=O.CNCc1cnc(/N=C/N=N/N)cn1
InChIInChI=1S/C15H21NO3.C7H11N7/c1-10-8-15(6-4-3-5-7-15)14(18)16(10)12-9-19-13(17)11(12)2;1-9-2-6-3-11-7(4-10-6)12-5-13-14-8/h10H,3-9H2,1-2H3;3-5,9H,2H2,1H3,(H2,8,11,12,13)
InChIKeyQNZJXVCUHDLDOQ-UHFFFAOYSA-N
MW456.55 g/mol
LogP2.57
Rot. Bonds5

About N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 144885576) has the molecular formula C22H32N8O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound NameN-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID144885576
Molecular FormulaC22H32N8O3
Molecular Weight456.55 g/mol
Exact Mass456.26
IUPAC NameN-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCC1=C(N2C(=O)C3(CCCCC3)CC2C)COC1=O.CNCc1cnc(/N=C/N=N/N)cn1
InChIInChI=1S/C15H21NO3.C7H11N7/c1-10-8-15(6-4-3-5-7-15)14(18)16(10)12-9-19-13(17)11(12)2;1-9-2-6-3-11-7(4-10-6)12-5-13-14-8/h10H,3-9H2,1-2H3;3-5,9H,2H2,1H3,(H2,8,11,12,13)
InChIKeyQNZJXVCUHDLDOQ-UHFFFAOYSA-N
XLogP2.57
TPSA147.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 144885576) is N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is CC1=C(N2C(=O)C3(CCCCC3)CC2C)COC1=O.CNCc1cnc(/N=C/N=N/N)cn1.
What is the InChIKey of N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is QNZJXVCUHDLDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3.C7H11N7/c1-10-8-15(6-4-3-5-7-15)14(18)16(10)12-9-19-13(17)11(12)2;1-9-2-6-3-11-7(4-10-6)12-5-13-14-8/h10H,3-9H2,1-2H3;3-5,9H,2H2,1H3,(H2,8,11,12,13).
What are the key properties of N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 456.55 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-N'-[5-(methylaminomethyl)pyrazin-2-yl]methanimidamide;3-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144885576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).