7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol

C17H17N5O — CID 136607582

IUPAC7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol
SMILESOc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C17H17N5O/c23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h1-4,9-11,18,23H,5-8H2
InChIKeyFLVNPTKIPBVYBD-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.81
Rot. Bonds2

About 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol

7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol (PubChem CID 136607582) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol.

Molecular Properties

Compound Name7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol
PubChem CID136607582
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol
SMILESOc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1
InChIInChI=1S/C17H17N5O/c23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h1-4,9-11,18,23H,5-8H2
InChIKeyFLVNPTKIPBVYBD-UHFFFAOYSA-N
XLogP1.81
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
The IUPAC name of 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol (CID 136607582) is 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol.
What is the SMILES notation for 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
The canonical SMILES for 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol is Oc1cc2ccncc2cc1-c1ccc(N2CCNCC2)nn1.
What is the InChIKey of 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
The InChIKey is FLVNPTKIPBVYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c23-16-10-12-3-4-19-11-13(12)9-14(16)15-1-2-17(21-20-15)22-7-5-18-6-8-22/h1-4,9-11,18,23H,5-8H2.
What are the key properties of 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol?
7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol has a molecular weight of 307.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-piperazin-1-ylpyridazin-3-yl)isoquinolin-6-ol is sourced from PubChem (CID 136607582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).