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

C15H18N4O2 — CID 162668961

IUPAC(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](O)C1
InChIInChI=1S/C15H18N4O2/c16-15-13(19-7-3-4-10(20)9-19)8-12(17-18-15)11-5-1-2-6-14(11)21/h1-2,5-6,8,10,20-21H,3-4,7,9H2,(H2,16,18)/t10-/m1/s1
InChIKeyVUGYKDOKOLKKRA-SNVBAGLBSA-N
MW286.33 g/mol
LogP1.39
Rot. Bonds2

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

(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol (PubChem CID 162668961) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
PubChem CID162668961
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](O)C1
InChIInChI=1S/C15H18N4O2/c16-15-13(19-7-3-4-10(20)9-19)8-12(17-18-15)11-5-1-2-6-14(11)21/h1-2,5-6,8,10,20-21H,3-4,7,9H2,(H2,16,18)/t10-/m1/s1
InChIKeyVUGYKDOKOLKKRA-SNVBAGLBSA-N
XLogP1.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
US10308614, Example 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
US10308614, Example 8
CID 137029438
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907
(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
CID 162645940
(3S,4R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
CID 162670244

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol (CID 162668961) is (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol is Nc1nnc(-c2ccccc2O)cc1N1CCC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol?
The InChIKey is VUGYKDOKOLKKRA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-15-13(19-7-3-4-10(20)9-19)8-12(17-18-15)11-5-1-2-6-14(11)21/h1-2,5-6,8,10,20-21H,3-4,7,9H2,(H2,16,18)/t10-/m1/s1.
What are the key properties of (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol?
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol has a molecular weight of 286.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol is sourced from PubChem (CID 162668961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).