1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone

C17H20N4O2 — CID 137045953

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H20N4O2/c1-11(22)21-8-6-12(7-9-21)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)23/h2-5,10,12,23H,6-9H2,1H3,(H2,18,20)
InChIKeyGWSQERVUKMVBLY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.16
Rot. Bonds2

About 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone (PubChem CID 137045953) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone
PubChem CID137045953
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H20N4O2/c1-11(22)21-8-6-12(7-9-21)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)23/h2-5,10,12,23H,6-9H2,1H3,(H2,18,20)
InChIKeyGWSQERVUKMVBLY-UHFFFAOYSA-N
XLogP2.16
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
5-cyclopropyl-2-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]phenol
CID 164544826
US10308614, Example 189
CID 137029365
US10308614, Example 53
CID 137029370
US10308614, Example 150
CID 137029373
US10308614, Example 24
CID 137029375
US10308614, Example 210
CID 137029376
US10308614, Example 213
CID 137029389
US10308614, Example 132
CID 137029390
2-(6-Amino-5-(4-((dimethylami-
CID 137029396

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone (CID 137045953) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is GWSQERVUKMVBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-11(22)21-8-6-12(7-9-21)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)23/h2-5,10,12,23H,6-9H2,1H3,(H2,18,20).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 312.37 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 137045953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).