8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one

C14H17N7O — CID 167864911

IUPAC8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3ccc(-n4ccnc4)nn3)CC2)N1
InChIInChI=1S/C14H17N7O/c22-13-16-9-14(17-13)3-6-20(7-4-14)11-1-2-12(19-18-11)21-8-5-15-10-21/h1-2,5,8,10H,3-4,6-7,9H2,(H2,16,17,22)
InChIKeyLKGKHEPPFDSMHI-UHFFFAOYSA-N
MW299.34 g/mol
LogP0.31
Rot. Bonds2

About 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one

8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 167864911) has the molecular formula C14H17N7O and a molecular weight of 299.34 g/mol. Its IUPAC name is 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID167864911
Molecular FormulaC14H17N7O
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(c3ccc(-n4ccnc4)nn3)CC2)N1
InChIInChI=1S/C14H17N7O/c22-13-16-9-14(17-13)3-6-20(7-4-14)11-1-2-12(19-18-11)21-8-5-15-10-21/h1-2,5,8,10H,3-4,6-7,9H2,(H2,16,17,22)
InChIKeyLKGKHEPPFDSMHI-UHFFFAOYSA-N
XLogP0.31
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 167864911) is 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(c3ccc(-n4ccnc4)nn3)CC2)N1.
What is the InChIKey of 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is LKGKHEPPFDSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7O/c22-13-16-9-14(17-13)3-6-20(7-4-14)11-1-2-12(19-18-11)21-8-5-15-10-21/h1-2,5,8,10H,3-4,6-7,9H2,(H2,16,17,22).
What are the key properties of 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one?
8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 299.34 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-imidazol-1-ylpyridazin-3-yl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 167864911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).