(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol

C15H18N4O3 — CID 162645940

IUPAC(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
SMILESNc1nnc(-c2ccccc2O)cc1N1CC[C@H](O)[C@@H](O)C1
InChIInChI=1S/C15H18N4O3/c16-15-11(19-6-5-13(21)14(22)8-19)7-10(17-18-15)9-3-1-2-4-12(9)20/h1-4,7,13-14,20-22H,5-6,8H2,(H2,16,18)/t13-,14-/m0/s1
InChIKeyQDSVGQOZFIDYIH-KBPBESRZSA-N
MW302.33 g/mol
LogP0.36
Rot. Bonds2

About (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol

(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol (PubChem CID 162645940) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
PubChem CID162645940
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol
SMILESNc1nnc(-c2ccccc2O)cc1N1CC[C@H](O)[C@@H](O)C1
InChIInChI=1S/C15H18N4O3/c16-15-11(19-6-5-13(21)14(22)8-19)7-10(17-18-15)9-3-1-2-4-12(9)20/h1-4,7,13-14,20-22H,5-6,8H2,(H2,16,18)/t13-,14-/m0/s1
InChIKeyQDSVGQOZFIDYIH-KBPBESRZSA-N
XLogP0.36
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
(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 (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol (CID 162645940) is (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol is Nc1nnc(-c2ccccc2O)cc1N1CC[C@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol?
The InChIKey is QDSVGQOZFIDYIH-KBPBESRZSA-N. The full InChI is InChI=1S/C15H18N4O3/c16-15-11(19-6-5-13(21)14(22)8-19)7-10(17-18-15)9-3-1-2-4-12(9)20/h1-4,7,13-14,20-22H,5-6,8H2,(H2,16,18)/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol?
(3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol has a molecular weight of 302.33 g/mol, XLogP of 0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidine-3,4-diol is sourced from PubChem (CID 162645940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).