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

C15H18N4O — CID 137029440

IUPAC2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol
SMILESCN1CCC(c2cc(-c3ccccc3O)nnc2N)C1
InChIInChI=1S/C15H18N4O/c1-19-7-6-10(9-19)12-8-13(17-18-15(12)16)11-4-2-3-5-14(11)20/h2-5,8,10,20H,6-7,9H2,1H3,(H2,16,18)
InChIKeyIXWMVTOMWKRMMM-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.85
Rot. Bonds2

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

2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol (PubChem CID 137029440) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol
PubChem CID137029440
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol
SMILESCN1CCC(c2cc(-c3ccccc3O)nnc2N)C1
InChIInChI=1S/C15H18N4O/c1-19-7-6-10(9-19)12-8-13(17-18-15(12)16)11-4-2-3-5-14(11)20/h2-5,8,10,20H,6-7,9H2,1H3,(H2,16,18)
InChIKeyIXWMVTOMWKRMMM-UHFFFAOYSA-N
XLogP1.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
2-{6-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-ethylamino]-4-methyl-pyridazin-3-yl}-phenol
CID 135525247
SMARCA2/4-ligand-6
CID 137029367
2-(6-Amino-5-(pyrrolidin-
CID 137029371
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
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
Phenol, 4-(6-amino-5-methyl-3-pyridazinyl)-, monohydrochloride
CID 135770315

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol (CID 137029440) is 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol is CN1CCC(c2cc(-c3ccccc3O)nnc2N)C1.
What is the InChIKey of 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol?
The InChIKey is IXWMVTOMWKRMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-7-6-10(9-19)12-8-13(17-18-15(12)16)11-4-2-3-5-14(11)20/h2-5,8,10,20H,6-7,9H2,1H3,(H2,16,18).
What are the key properties of 2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol?
2-[6-amino-5-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol has a molecular weight of 270.34 g/mol, XLogP of 1.85, 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-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]phenol is sourced from PubChem (CID 137029440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).