2-(6-amino-5-benzylpyridazin-3-yl)phenol

C17H15N3O — CID 137045941

IUPAC2-(6-amino-5-benzylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1Cc1ccccc1
InChIInChI=1S/C17H15N3O/c18-17-13(10-12-6-2-1-3-7-12)11-15(19-20-17)14-8-4-5-9-16(14)21/h1-9,11,21H,10H2,(H2,18,20)
InChIKeyIUUNUULQTTZTNG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.02
Rot. Bonds3

About 2-(6-amino-5-benzylpyridazin-3-yl)phenol

2-(6-amino-5-benzylpyridazin-3-yl)phenol (PubChem CID 137045941) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(6-amino-5-benzylpyridazin-3-yl)phenol.

Molecular Properties

Compound Name2-(6-amino-5-benzylpyridazin-3-yl)phenol
PubChem CID137045941
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(6-amino-5-benzylpyridazin-3-yl)phenol
SMILESNc1nnc(-c2ccccc2O)cc1Cc1ccccc1
InChIInChI=1S/C17H15N3O/c18-17-13(10-12-6-2-1-3-7-12)11-15(19-20-17)14-8-4-5-9-16(14)21/h1-9,11,21H,10H2,(H2,18,20)
InChIKeyIUUNUULQTTZTNG-UHFFFAOYSA-N
XLogP3.02
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-benzylpyridazin-3-yl)phenol?
The IUPAC name of 2-(6-amino-5-benzylpyridazin-3-yl)phenol (CID 137045941) is 2-(6-amino-5-benzylpyridazin-3-yl)phenol.
What is the SMILES notation for 2-(6-amino-5-benzylpyridazin-3-yl)phenol?
The canonical SMILES for 2-(6-amino-5-benzylpyridazin-3-yl)phenol is Nc1nnc(-c2ccccc2O)cc1Cc1ccccc1.
What is the InChIKey of 2-(6-amino-5-benzylpyridazin-3-yl)phenol?
The InChIKey is IUUNUULQTTZTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17-13(10-12-6-2-1-3-7-12)11-15(19-20-17)14-8-4-5-9-16(14)21/h1-9,11,21H,10H2,(H2,18,20).
What are the key properties of 2-(6-amino-5-benzylpyridazin-3-yl)phenol?
2-(6-amino-5-benzylpyridazin-3-yl)phenol has a molecular weight of 277.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-benzylpyridazin-3-yl)phenol is sourced from PubChem (CID 137045941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).