8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one

C18H25N7O — CID 167967462

IUPAC8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1c(C2CCc3cn[nH]c3C2)nnc1N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C18H25N7O/c1-24-16(12-2-3-13-10-20-21-14(13)8-12)22-23-17(24)25-6-4-18(5-7-25)9-15(26)19-11-18/h10,12H,2-9,11H2,1H3,(H,19,26)(H,20,21)
InChIKeyQJGQMOXOHWQRFJ-UHFFFAOYSA-N
MW355.45 g/mol
LogP0.92
Rot. Bonds2

About 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one

8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 167967462) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID167967462
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCn1c(C2CCc3cn[nH]c3C2)nnc1N1CCC2(CC1)CNC(=O)C2
InChIInChI=1S/C18H25N7O/c1-24-16(12-2-3-13-10-20-21-14(13)8-12)22-23-17(24)25-6-4-18(5-7-25)9-15(26)19-11-18/h10,12H,2-9,11H2,1H3,(H,19,26)(H,20,21)
InChIKeyQJGQMOXOHWQRFJ-UHFFFAOYSA-N
XLogP0.92
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one (CID 167967462) is 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one is Cn1c(C2CCc3cn[nH]c3C2)nnc1N1CCC2(CC1)CNC(=O)C2.
What is the InChIKey of 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is QJGQMOXOHWQRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-24-16(12-2-3-13-10-20-21-14(13)8-12)22-23-17(24)25-6-4-18(5-7-25)9-15(26)19-11-18/h10,12H,2-9,11H2,1H3,(H,19,26)(H,20,21).
What are the key properties of 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one?
8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 355.45 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-methyl-5-(4,5,6,7-tetrahydro-1H-indazol-6-yl)-1,2,4-triazol-3-yl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 167967462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).