1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone

C15H19N5O — CID 110255801

IUPAC1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C15H19N5O/c1-12(21)19-7-2-3-13(10-19)9-14-4-5-15(18-17-14)20-8-6-16-11-20/h4-6,8,11,13H,2-3,7,9-10H2,1H3
InChIKeyRDQNOGZXZULYSG-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.46
Rot. Bonds3

About 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone

1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 110255801) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
PubChem CID110255801
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(Cc2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C15H19N5O/c1-12(21)19-7-2-3-13(10-19)9-14-4-5-15(18-17-14)20-8-6-16-11-20/h4-6,8,11,13H,2-3,7,9-10H2,1H3
InChIKeyRDQNOGZXZULYSG-UHFFFAOYSA-N
XLogP1.46
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
1-[(3S)-3-[(6-imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820901
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
CID 110271511
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
CID 110271581
2-amino-1-[3-[(6-pyrrolidin-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110271601
1-[4-[(6-chloropyridazin-3-yl)methyl]azepan-1-yl]ethanone
CID 66510068
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone (CID 110255801) is 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(Cc2ccc(-n3ccnc3)nn2)C1.
What is the InChIKey of 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is RDQNOGZXZULYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-12(21)19-7-2-3-13(10-19)9-14-4-5-15(18-17-14)20-8-6-16-11-20/h4-6,8,11,13H,2-3,7,9-10H2,1H3.
What are the key properties of 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 285.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110255801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).