2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol

C15H20N4O2 — CID 137029382

IUPAC2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol
SMILESCN(C)CCCOc1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C15H20N4O2/c1-19(2)8-5-9-21-14-10-12(17-18-15(14)16)11-6-3-4-7-13(11)20/h3-4,6-7,10,20H,5,8-9H2,1-2H3,(H2,16,18)
InChIKeyKNWHWYSWKPDTAP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds6

About 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol

2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol (PubChem CID 137029382) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol
PubChem CID137029382
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol
SMILESCN(C)CCCOc1cc(-c2ccccc2O)nnc1N
InChIInChI=1S/C15H20N4O2/c1-19(2)8-5-9-21-14-10-12(17-18-15(14)16)11-6-3-4-7-13(11)20/h3-4,6-7,10,20H,5,8-9H2,1-2H3,(H2,16,18)
InChIKeyKNWHWYSWKPDTAP-UHFFFAOYSA-N
XLogP1.76
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

US10308614, Example 173
CID 137029363
US10308614, Example 169
CID 137029378
US10308614, Example 177
CID 137029380
US10308614, Example 179
CID 137029383
US10308614, Example 170
CID 137029385
US10308614, Example 165
CID 137029386
US10308614, Example 172
CID 137029393
2-(6-Amino-5-(1-(pyridin-
CID 137029394
US10308614, Example 164
CID 137029395
US10308614, Example 168
CID 137029399
US10308614, Example 178
CID 137029410
US10308614, Example 166
CID 137029457

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol (CID 137029382) is 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol is CN(C)CCCOc1cc(-c2ccccc2O)nnc1N.
What is the InChIKey of 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol?
The InChIKey is KNWHWYSWKPDTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-19(2)8-5-9-21-14-10-12(17-18-15(14)16)11-6-3-4-7-13(11)20/h3-4,6-7,10,20H,5,8-9H2,1-2H3,(H2,16,18).
What are the key properties of 2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol?
2-[6-amino-5-[3-(dimethylamino)propoxy]pyridazin-3-yl]phenol has a molecular weight of 288.35 g/mol, XLogP of 1.76, 6 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-(dimethylamino)propoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 137029382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).