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

C15H18N4O2 — CID 154573641

IUPAC1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC(O)CC1
InChIInChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18)
InChIKeyIYHIMSKJSRZGKN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.39
Rot. Bonds2

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

1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol (PubChem CID 154573641) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
PubChem CID154573641
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCC(O)CC1
InChIInChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18)
InChIKeyIYHIMSKJSRZGKN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol?
The IUPAC name of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol (CID 154573641) is 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol.
What is the SMILES notation for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol?
The canonical SMILES for 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol is Nc1nnc(-c2ccccc2O)cc1N1CCC(O)CC1.
What is the InChIKey of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol?
The InChIKey is IYHIMSKJSRZGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-15-13(19-7-5-10(20)6-8-19)9-12(17-18-15)11-3-1-2-4-14(11)21/h1-4,9-10,20-21H,5-8H2,(H2,16,18).
What are the key properties of 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol?
1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-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 1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol is sourced from PubChem (CID 154573641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).