2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol

C19H26N4O2 — CID 163373774

IUPAC2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol
SMILESC=CCC(CCCOc1cc(-c2ccccc2O)nnc1N)CNC
InChIInChI=1S/C19H26N4O2/c1-3-7-14(13-21-2)8-6-11-25-18-12-16(22-23-19(18)20)15-9-4-5-10-17(15)24/h3-5,9-10,12,14,21,24H,1,6-8,11,13H2,2H3,(H2,20,23)
InChIKeyUOBDWLKGKPSOBG-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.00
Rot. Bonds10

About 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol

2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol (PubChem CID 163373774) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol
PubChem CID163373774
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol
SMILESC=CCC(CCCOc1cc(-c2ccccc2O)nnc1N)CNC
InChIInChI=1S/C19H26N4O2/c1-3-7-14(13-21-2)8-6-11-25-18-12-16(22-23-19(18)20)15-9-4-5-10-17(15)24/h3-5,9-10,12,14,21,24H,1,6-8,11,13H2,2H3,(H2,20,23)
InChIKeyUOBDWLKGKPSOBG-UHFFFAOYSA-N
XLogP3.00
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Prizidilol
CID 71952
Prizidilol Hydrochloride
CID 6410532
US10308614, Example 173
CID 137029363
US10308614, Example 169
CID 137029378
US10308614, Example 177
CID 137029380
US10308614, Example 175
CID 137029382
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol (CID 163373774) is 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol is C=CCC(CCCOc1cc(-c2ccccc2O)nnc1N)CNC.
What is the InChIKey of 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol?
The InChIKey is UOBDWLKGKPSOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-7-14(13-21-2)8-6-11-25-18-12-16(22-23-19(18)20)15-9-4-5-10-17(15)24/h3-5,9-10,12,14,21,24H,1,6-8,11,13H2,2H3,(H2,20,23).
What are the key properties of 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol?
2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol has a molecular weight of 342.44 g/mol, XLogP of 3.00, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-[4-(methylaminomethyl)hept-6-enoxy]pyridazin-3-yl]phenol is sourced from PubChem (CID 163373774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).