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

C21H23N5O — CID 137029434

IUPAC2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c22-21-19(14-18(23-24-21)17-8-4-5-9-20(17)27)26-12-10-25(11-13-26)15-16-6-2-1-3-7-16/h1-9,14,27H,10-13,15H2,(H2,22,24)
InChIKeyDNZFADKRABVBAW-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.75
Rot. Bonds4

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

2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol (PubChem CID 137029434) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol
PubChem CID137029434
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H23N5O/c22-21-19(14-18(23-24-21)17-8-4-5-9-20(17)27)26-12-10-25(11-13-26)15-16-6-2-1-3-7-16/h1-9,14,27H,10-13,15H2,(H2,22,24)
InChIKeyDNZFADKRABVBAW-UHFFFAOYSA-N
XLogP2.75
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.75
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
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol (CID 137029434) is 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol?
The InChIKey is DNZFADKRABVBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c22-21-19(14-18(23-24-21)17-8-4-5-9-20(17)27)26-12-10-25(11-13-26)15-16-6-2-1-3-7-16/h1-9,14,27H,10-13,15H2,(H2,22,24).
What are the key properties of 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol has a molecular weight of 361.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(4-benzylpiperazin-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).