2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol

C20H20N4O2 — CID 137029515

IUPAC2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1OC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H20N4O2/c21-20-19(12-17(22-23-20)16-8-4-5-9-18(16)25)26-15-10-11-24(13-15)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H2,21,23)
InChIKeyPFPBTBLUYMUDBP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.09
Rot. Bonds4

About 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol

2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol (PubChem CID 137029515) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol
PubChem CID137029515
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1OC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H20N4O2/c21-20-19(12-17(22-23-20)16-8-4-5-9-18(16)25)26-15-10-11-24(13-15)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H2,21,23)
InChIKeyPFPBTBLUYMUDBP-UHFFFAOYSA-N
XLogP3.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 154573640
US10308614, Example 8
CID 137029438
4-[6-(2-Phenylmethoxyphenyl)pyridazin-3-yl]morpholine
CID 46226110
2-[6-amino-5-[(3S)-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol
CID 162651704
US10308614, Example 169
CID 137029378
US10308614, Example 165
CID 137029386
US10308614, Example 179
CID 137029383
US10308614, Example 172
CID 137029393
2-(6-Amino-5-(1-(pyridin-
CID 137029394
US10308614, Example 168
CID 137029399
US10308614, Example 164
CID 137029395
US10308614, Example 168
CID 137029399

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol (CID 137029515) is 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1OC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol?
The InChIKey is PFPBTBLUYMUDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c21-20-19(12-17(22-23-20)16-8-4-5-9-18(16)25)26-15-10-11-24(13-15)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H2,21,23).
What are the key properties of 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol?
2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol has a molecular weight of 348.41 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(1-phenylpyrrolidin-3-yl)oxypyridazin-3-yl]phenol is sourced from PubChem (CID 137029515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).