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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Related Compounds

N-cyclohexyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 53608569
N-cyclopentyl-2-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 53614122
N-cyclopentyl-2-[3-methyl-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]acetamide
CID 53568777
N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53599344
4-(2-Methylimidazol-1-yl)-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]butan-1-one
CID 53613480
3-Methyl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 53616179
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 53617941
3-Methyl-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 53617996
N-cyclopentyl-3-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]propanamide
CID 53623500
N-[(1-ethylimidazol-2-yl)methyl]-1-(1-pyridazin-3-ylpyrrolidin-2-yl)methanamine
CID 56778221
2-Pyrazol-1-yl-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 56778529
1-[4-(Pyridazin-3-ylamino)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56778531

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).