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

C19H18N4O2 — CID 137029437

IUPAC2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CC(Oc2ccccc2)C1
InChIInChI=1S/C19H18N4O2/c20-19-17(10-16(21-22-19)15-8-4-5-9-18(15)24)23-11-14(12-23)25-13-6-2-1-3-7-13/h1-10,14,24H,11-12H2,(H2,20,22)
InChIKeySFMYKATXFFQSND-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.70
Rot. Bonds4

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

2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol (PubChem CID 137029437) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol
PubChem CID137029437
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1N1CC(Oc2ccccc2)C1
InChIInChI=1S/C19H18N4O2/c20-19-17(10-16(21-22-19)15-8-4-5-9-18(15)24)23-11-14(12-23)25-13-6-2-1-3-7-13/h1-10,14,24H,11-12H2,(H2,20,22)
InChIKeySFMYKATXFFQSND-UHFFFAOYSA-N
XLogP2.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol (CID 137029437) is 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1N1CC(Oc2ccccc2)C1.
What is the InChIKey of 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol?
The InChIKey is SFMYKATXFFQSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-19-17(10-16(21-22-19)15-8-4-5-9-18(15)24)23-11-14(12-23)25-13-6-2-1-3-7-13/h1-10,14,24H,11-12H2,(H2,20,22).
What are the key properties of 2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol has a molecular weight of 334.38 g/mol, XLogP of 2.70, 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-(3-phenoxyazetidin-1-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).