2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol

C16H20N4O — CID 137029398

IUPAC2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol
SMILESC[C@H]1CCCCN1c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C16H20N4O/c1-11-6-4-5-9-20(11)14-10-13(18-19-16(14)17)12-7-2-3-8-15(12)21/h2-3,7-8,10-11,21H,4-6,9H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyKXXHZDPNIIOTSH-NSHDSACASA-N
MW284.36 g/mol
LogP2.81
Rot. Bonds2

About 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029398) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029398
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol
SMILESC[C@H]1CCCCN1c1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C16H20N4O/c1-11-6-4-5-9-20(11)14-10-13(18-19-16(14)17)12-7-2-3-8-15(12)21/h2-3,7-8,10-11,21H,4-6,9H2,1H3,(H2,17,19)/t11-/m0/s1
InChIKeyKXXHZDPNIIOTSH-NSHDSACASA-N
XLogP2.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
SMARCA-BD ligand 1 for Protac
CID 137045944
2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 154573640
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
US10308614, Example 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 8
CID 137029438

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol (CID 137029398) is 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol is C[C@H]1CCCCN1c1cc(-c2ccccc2O)nnc1N.
What is the InChIKey of 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is KXXHZDPNIIOTSH-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-6-4-5-9-20(11)14-10-13(18-19-16(14)17)12-7-2-3-8-15(12)21/h2-3,7-8,10-11,21H,4-6,9H2,1H3,(H2,17,19)/t11-/m0/s1.
What are the key properties of 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 284.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(2S)-2-methylpiperidin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).