2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

C15H20N6O — CID 56778544

IUPAC2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(Nc2cccnn2)CC1)n1ccnc1
InChIInChI=1S/C15H20N6O/c1-12(21-10-7-16-11-21)15(22)20-8-4-13(5-9-20)18-14-3-2-6-17-19-14/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyQESSEAPKZVKGIQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.34
Rot. Bonds4

About 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one

2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (PubChem CID 56778544) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
PubChem CID56778544
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCC(Nc2cccnn2)CC1)n1ccnc1
InChIInChI=1S/C15H20N6O/c1-12(21-10-7-16-11-21)15(22)20-8-4-13(5-9-20)18-14-3-2-6-17-19-14/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,18,19)
InChIKeyQESSEAPKZVKGIQ-UHFFFAOYSA-N
XLogP1.34
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one (CID 56778544) is 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCC(Nc2cccnn2)CC1)n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
The InChIKey is QESSEAPKZVKGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-12(21-10-7-16-11-21)15(22)20-8-4-13(5-9-20)18-14-3-2-6-17-19-14/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,18,19).
What are the key properties of 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one?
2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one has a molecular weight of 300.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56778544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).