2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol

C21H23N5O — CID 137029400

IUPAC2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1c1ccccc1
InChIInChI=1S/C21H23N5O/c1-15-14-25(11-12-26(15)16-7-3-2-4-8-16)19-13-18(23-24-21(19)22)17-9-5-6-10-20(17)27/h2-10,13,15,27H,11-12,14H2,1H3,(H2,22,24)
InChIKeyYIYLCKJEDKOPIF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.15
Rot. Bonds3

About 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol

2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol (PubChem CID 137029400) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol
PubChem CID137029400
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESCC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1c1ccccc1
InChIInChI=1S/C21H23N5O/c1-15-14-25(11-12-26(15)16-7-3-2-4-8-16)19-13-18(23-24-21(19)22)17-9-5-6-10-20(17)27/h2-10,13,15,27H,11-12,14H2,1H3,(H2,22,24)
InChIKeyYIYLCKJEDKOPIF-UHFFFAOYSA-N
XLogP3.15
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
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
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 6
CID 137029398
US10308614, Example 8
CID 137029438
2-(6-Amino-5-(piperidin-1-yl)pyridazin-3-yl)phenol
CID 137045907

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol (CID 137029400) is 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol is CC1CN(c2cc(-c3ccccc3O)nnc2N)CCN1c1ccccc1.
What is the InChIKey of 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol?
The InChIKey is YIYLCKJEDKOPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-14-25(11-12-26(15)16-7-3-2-4-8-16)19-13-18(23-24-21(19)22)17-9-5-6-10-20(17)27/h2-10,13,15,27H,11-12,14H2,1H3,(H2,22,24).
What are the key properties of 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol has a molecular weight of 361.45 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(3-methyl-4-phenylpiperazin-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).