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

C15H17N3O2 — CID 137029389

IUPAC2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1CCOCC1
InChIInChI=1S/C15H17N3O2/c16-15-12(10-5-7-20-8-6-10)9-13(17-18-15)11-3-1-2-4-14(11)19/h1-4,9-10,19H,5-8H2,(H2,16,18)
InChIKeySJLCWPAOOFQJLQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds2

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

2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol (PubChem CID 137029389) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol
PubChem CID137029389
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C1CCOCC1
InChIInChI=1S/C15H17N3O2/c16-15-12(10-5-7-20-8-6-10)9-13(17-18-15)11-3-1-2-4-14(11)19/h1-4,9-10,19H,5-8H2,(H2,16,18)
InChIKeySJLCWPAOOFQJLQ-UHFFFAOYSA-N
XLogP2.33
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
Smarca2/4-IN-2
CID 136145607
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
US10308614, Example 232
CID 137029433
2-(6-Amino-5-phenylpyridazin-3-yl)-3-fluorophenol
CID 137045915
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
Phenol, 4-(6-amino-5-methyl-3-pyridazinyl)-, monohydrochloride
CID 135770315
US10308614, Example 189
CID 137029365
US10308614, Example 210
CID 137029376
US10308614, Example 223
CID 137029397
US10308614, Example 178
CID 137029410

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol (CID 137029389) is 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1C1CCOCC1.
What is the InChIKey of 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol?
The InChIKey is SJLCWPAOOFQJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-15-12(10-5-7-20-8-6-10)9-13(17-18-15)11-3-1-2-4-14(11)19/h1-4,9-10,19H,5-8H2,(H2,16,18).
What are the key properties of 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol has a molecular weight of 271.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(oxan-4-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).