2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol

C19H20N4O — CID 137029365

IUPAC2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol
SMILESCN(C)Cc1ccc(-c2cc(-c3ccccc3O)nnc2N)cc1
InChIInChI=1S/C19H20N4O/c1-23(2)12-13-7-9-14(10-8-13)16-11-17(21-22-19(16)20)15-5-3-4-6-18(15)24/h3-11,24H,12H2,1-2H3,(H2,20,22)
InChIKeyCOKXUIZUCWUEQS-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.16
Rot. Bonds4

About 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol

2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol (PubChem CID 137029365) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol
PubChem CID137029365
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol
SMILESCN(C)Cc1ccc(-c2cc(-c3ccccc3O)nnc2N)cc1
InChIInChI=1S/C19H20N4O/c1-23(2)12-13-7-9-14(10-8-13)16-11-17(21-22-19(16)20)15-5-3-4-6-18(15)24/h3-11,24H,12H2,1-2H3,(H2,20,22)
InChIKeyCOKXUIZUCWUEQS-UHFFFAOYSA-N
XLogP3.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
US11208399, Example 4
CID 155284580
US11208399, Example 53
CID 155284733
5-Fluoro-2-{6-[methyl-(2,2,6,6-tetramethyl-piperidin-4-yl)-amino]-pyridazin-3-yl}-phenol
CID 136253018
3-Hydroxy-4-(6-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)pyridazin-3-yl)benzonitrile
CID 136253042
US10308614, Example 6
CID 137029398
Smarca2/4-IN-2
CID 136145607
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol (CID 137029365) is 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol is CN(C)Cc1ccc(-c2cc(-c3ccccc3O)nnc2N)cc1.
What is the InChIKey of 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol?
The InChIKey is COKXUIZUCWUEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-23(2)12-13-7-9-14(10-8-13)16-11-17(21-22-19(16)20)15-5-3-4-6-18(15)24/h3-11,24H,12H2,1-2H3,(H2,20,22).
What are the key properties of 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol has a molecular weight of 320.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-[(dimethylamino)methyl]phenyl]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).