2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol

C20H22N6O — CID 137029368

IUPAC2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H22N6O/c21-20-18(12-17(23-24-20)16-5-1-2-6-19(16)27)26-10-8-25(9-11-26)14-15-4-3-7-22-13-15/h1-7,12-13,27H,8-11,14H2,(H2,21,24)
InChIKeyJZLOJEOBZZJRHN-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.15
Rot. Bonds4

About 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol (PubChem CID 137029368) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol
PubChem CID137029368
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C20H22N6O/c21-20-18(12-17(23-24-20)16-5-1-2-6-19(16)27)26-10-8-25(9-11-26)14-15-4-3-7-22-13-15/h1-7,12-13,27H,8-11,14H2,(H2,21,24)
InChIKeyJZLOJEOBZZJRHN-UHFFFAOYSA-N
XLogP2.15
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Gne-064
CID 137029447
SMARCA-BD ligand 1 for Protac
CID 137045944
1-[3-Azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol
CID 154573641
5-(3-amino-1H-pyrazol-1-yl)-2-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)phenol
CID 136377142
US10308614, Example 45
CID 137029366
2-(6-Amino-5-(pyrrolidin-
CID 137029371
US10308614, Example 6
CID 137029398
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
US10308614, Example 75
CID 137029374
US10308614, Example 76
CID 137029391
US10308614, Example 23
CID 137029403

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol (CID 137029368) is 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
The InChIKey is JZLOJEOBZZJRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c21-20-18(12-17(23-24-20)16-5-1-2-6-19(16)27)26-10-8-25(9-11-26)14-15-4-3-7-22-13-15/h1-7,12-13,27H,8-11,14H2,(H2,21,24).
What are the key properties of 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol has a molecular weight of 362.44 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).