6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide

C16H24N4O — CID 176986123

IUPAC6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide
SMILESCC1CCC2(CC1)CCN(c1ccc(C(N)=O)nn1)CC2
InChIInChI=1S/C16H24N4O/c1-12-4-6-16(7-5-12)8-10-20(11-9-16)14-3-2-13(15(17)21)18-19-14/h2-3,12H,4-11H2,1H3,(H2,17,21)
InChIKeyBHOOADWWDNOTTD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.37
Rot. Bonds2

About 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide

6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide (PubChem CID 176986123) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide
PubChem CID176986123
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide
SMILESCC1CCC2(CC1)CCN(c1ccc(C(N)=O)nn1)CC2
InChIInChI=1S/C16H24N4O/c1-12-4-6-16(7-5-12)8-10-20(11-9-16)14-3-2-13(15(17)21)18-19-14/h2-3,12H,4-11H2,1H3,(H2,17,21)
InChIKeyBHOOADWWDNOTTD-UHFFFAOYSA-N
XLogP2.37
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide (CID 176986123) is 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide is CC1CCC2(CC1)CCN(c1ccc(C(N)=O)nn1)CC2.
What is the InChIKey of 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide?
The InChIKey is BHOOADWWDNOTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-4-6-16(7-5-12)8-10-20(11-9-16)14-3-2-13(15(17)21)18-19-14/h2-3,12H,4-11H2,1H3,(H2,17,21).
What are the key properties of 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide?
6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methyl-3-azaspiro[5.5]undecan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 176986123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).