2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol

C19H17N3O — CID 137045942

IUPAC2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1/C=C/Cc1ccccc1
InChIInChI=1S/C19H17N3O/c20-19-15(10-6-9-14-7-2-1-3-8-14)13-17(21-22-19)16-11-4-5-12-18(16)23/h1-8,10-13,23H,9H2,(H2,20,22)/b10-6+
InChIKeyKHQPVCJMHTUNLE-UXBLZVDNSA-N
MW303.37 g/mol
LogP3.69
Rot. Bonds4

About 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol

2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol (PubChem CID 137045942) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol
PubChem CID137045942
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1/C=C/Cc1ccccc1
InChIInChI=1S/C19H17N3O/c20-19-15(10-6-9-14-7-2-1-3-8-14)13-17(21-22-19)16-11-4-5-12-18(16)23/h1-8,10-13,23H,9H2,(H2,20,22)/b10-6+
InChIKeyKHQPVCJMHTUNLE-UXBLZVDNSA-N
XLogP3.69
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.69
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-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol (CID 137045942) is 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1/C=C/Cc1ccccc1.
What is the InChIKey of 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol?
The InChIKey is KHQPVCJMHTUNLE-UXBLZVDNSA-N. The full InChI is InChI=1S/C19H17N3O/c20-19-15(10-6-9-14-7-2-1-3-8-14)13-17(21-22-19)16-11-4-5-12-18(16)23/h1-8,10-13,23H,9H2,(H2,20,22)/b10-6+.
What are the key properties of 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol?
2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol has a molecular weight of 303.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[(E)-3-phenylprop-1-enyl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137045942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).