N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

C20H26N8O3 — CID 144885529

IUPACN-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCNCc1cnc(-n2cnnn2)cn1.O=C1C=C(N2CCC3(CCCCC3)C2=O)CO1
InChIInChI=1S/C13H17NO3.C7H9N7/c15-11-8-10(9-17-11)14-7-6-13(12(14)16)4-2-1-3-5-13;1-8-2-6-3-10-7(4-9-6)14-5-11-12-13-14/h8H,1-7,9H2;3-5,8H,2H2,1H3
InChIKeyKPXFESUJQXCMNV-UHFFFAOYSA-N
MW426.48 g/mol
LogP0.78
Rot. Bonds4

About N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one

N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 144885529) has the molecular formula C20H26N8O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound NameN-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID144885529
Molecular FormulaC20H26N8O3
Molecular Weight426.48 g/mol
Exact Mass426.21
IUPAC NameN-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
SMILESCNCc1cnc(-n2cnnn2)cn1.O=C1C=C(N2CCC3(CCCCC3)C2=O)CO1
InChIInChI=1S/C13H17NO3.C7H9N7/c15-11-8-10(9-17-11)14-7-6-13(12(14)16)4-2-1-3-5-13;1-8-2-6-3-10-7(4-9-6)14-5-11-12-13-14/h8H,1-7,9H2;3-5,8H,2H2,1H3
InChIKeyKPXFESUJQXCMNV-UHFFFAOYSA-N
XLogP0.78
TPSA128.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-(fluoromethyl)-2-(5-oxo-2H-furan-3-yl)-8-[2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-2,8-diazaspiro[4.5]decan-1-one
CID 144715471
(3S)-8-[2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 135184208
(3R)-8-[(2S)-2-hydroxy-2-[5-(tetrazol-1-yl)pyrazin-2-yl]ethyl]-3-methyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 86271823
(3R)-3-methyl-2-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233005
8-[2-hydroxy-2-[6-methyl-5-(tetrazol-1-yl)-2-pyridinyl]ethyl]-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 135184289
8-[[5-[ethenyl-(methylideneamino)amino]pyrazin-2-yl]methylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 135212204
(1R,4R,8S)-4-methyl-3-(5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-1-yl)-3-pyridinyl]methylamino]-3-azatricyclo[4.4.0.01,5]decan-2-one
CID 144885521
8-[2-[(E)-2-(methylideneamino)-2-(tetrazol-1-yl)ethenyl]iminopropylamino]-2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 126566161
1-[5-(3-azaspiro[5.5]undecan-3-yl)pyrazin-2-yl]-N-methylmethanamine
CID 107379977
3-[9-[2-hydroxy-2-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2H-furan-5-one
CID 123809951
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[(1S)-1-[6-(tetrazol-1-yl)-3-pyridinyl]ethyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233011
8-[(2S)-2-hydroxy-2-[6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-3,3-dimethyl-2-(5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 86270982

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one (CID 144885529) is N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is CNCc1cnc(-n2cnnn2)cn1.O=C1C=C(N2CCC3(CCCCC3)C2=O)CO1.
What is the InChIKey of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is KPXFESUJQXCMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3.C7H9N7/c15-11-8-10(9-17-11)14-7-6-13(12(14)16)4-2-1-3-5-13;1-8-2-6-3-10-7(4-9-6)14-5-11-12-13-14/h8H,1-7,9H2;3-5,8H,2H2,1H3.
What are the key properties of N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one?
N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 426.48 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(tetrazol-1-yl)pyrazin-2-yl]methanamine;2-(5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 144885529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).