N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine

C15H23N7 — CID 72709266

IUPACN-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
SMILESCc1nnc(NC2=NCC3(CN4CCC3CC4)N2C)nc1C
InChIInChI=1S/C15H23N7/c1-10-11(2)19-20-13(17-10)18-14-16-8-15(21(14)3)9-22-6-4-12(15)5-7-22/h12H,4-9H2,1-3H3,(H,16,17,18,20)
InChIKeyLUDAGYHHGNNJRK-UHFFFAOYSA-N
MW301.40 g/mol
LogP0.67
Rot. Bonds1

About N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine

N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine (PubChem CID 72709266) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine.

Molecular Properties

Compound NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
PubChem CID72709266
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC NameN-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
SMILESCc1nnc(NC2=NCC3(CN4CCC3CC4)N2C)nc1C
InChIInChI=1S/C15H23N7/c1-10-11(2)19-20-13(17-10)18-14-16-8-15(21(14)3)9-22-6-4-12(15)5-7-22/h12H,4-9H2,1-3H3,(H,16,17,18,20)
InChIKeyLUDAGYHHGNNJRK-UHFFFAOYSA-N
XLogP0.67
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The IUPAC name of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine (CID 72709266) is N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine.
What is the SMILES notation for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The canonical SMILES for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine is Cc1nnc(NC2=NCC3(CN4CCC3CC4)N2C)nc1C.
What is the InChIKey of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
The InChIKey is LUDAGYHHGNNJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-10-11(2)19-20-13(17-10)18-14-16-8-15(21(14)3)9-22-6-4-12(15)5-7-22/h12H,4-9H2,1-3H3,(H,16,17,18,20).
What are the key properties of N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine?
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine has a molecular weight of 301.40 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1'-methylspiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine is sourced from PubChem (CID 72709266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).