2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one

C13H19N7O — CID 34000836

IUPAC2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Nc2ccc3nnnn3n2)CC1
InChIInChI=1S/C13H19N7O/c1-9(2)13(21)19-7-5-10(6-8-19)14-11-3-4-12-15-17-18-20(12)16-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,16)
InChIKeyXHWCJPCGYQXUPV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.58
Rot. Bonds3

About 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one

2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 34000836) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one
PubChem CID34000836
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(Nc2ccc3nnnn3n2)CC1
InChIInChI=1S/C13H19N7O/c1-9(2)13(21)19-7-5-10(6-8-19)14-11-3-4-12-15-17-18-20(12)16-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,16)
InChIKeyXHWCJPCGYQXUPV-UHFFFAOYSA-N
XLogP0.58
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one (CID 34000836) is 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(Nc2ccc3nnnn3n2)CC1.
What is the InChIKey of 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is XHWCJPCGYQXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-9(2)13(21)19-7-5-10(6-8-19)14-11-3-4-12-15-17-18-20(12)16-11/h3-4,9-10H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one?
2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 289.34 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(tetrazolo[1,5-b]pyridazin-6-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 34000836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).