1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone

C16H19N5O — CID 95825591

IUPAC1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(-c3cncnc3)nn2)CC1
InChIInChI=1S/C16H19N5O/c1-12(22)21-6-4-13(5-7-21)8-15-2-3-16(20-19-15)14-9-17-11-18-10-14/h2-3,9-11,13H,4-8H2,1H3
InChIKeySMEUGIWQSOZKSI-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.73
Rot. Bonds3

About 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone

1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 95825591) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
PubChem CID95825591
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ccc(-c3cncnc3)nn2)CC1
InChIInChI=1S/C16H19N5O/c1-12(22)21-6-4-13(5-7-21)8-15-2-3-16(20-19-15)14-9-17-11-18-10-14/h2-3,9-11,13H,4-8H2,1H3
InChIKeySMEUGIWQSOZKSI-UHFFFAOYSA-N
XLogP1.73
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
1-[4-[(6-chloropyridazin-3-yl)methyl]azepan-1-yl]ethanone
CID 66510068
(4R)-1-methyl-4-[(6-pyridin-3-ylpyridazin-3-yl)methyl]azepane
CID 95825329
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226
1-[4-[(5-bromo-2-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 175662559
1-[4-(5-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]ethanone
CID 95834066
1-[4-[(6-benzylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820834
1-[3-[(6-pyridin-3-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257442
1-[4-[[6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110102290
1-[3-[[6-(1-ethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110102457
1-[3-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110255816
1-[(3S)-3-[[6-(3-methylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 125024619

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone (CID 95825591) is 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ccc(-c3cncnc3)nn2)CC1.
What is the InChIKey of 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is SMEUGIWQSOZKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-12(22)21-6-4-13(5-7-21)8-15-2-3-16(20-19-15)14-9-17-11-18-10-14/h2-3,9-11,13H,4-8H2,1H3.
What are the key properties of 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone?
1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 297.36 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-pyrimidin-5-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95825591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).