2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol

C17H15FN4O — CID 168901795

IUPAC2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C(F)Cc1ccncc1
InChIInChI=1S/C17H15FN4O/c18-14(9-11-5-7-20-8-6-11)13-10-15(21-22-17(13)19)12-3-1-2-4-16(12)23/h1-8,10,14,23H,9H2,(H2,19,22)
InChIKeyFAWHNAAKABRUGM-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.08
Rot. Bonds4

About 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol

2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol (PubChem CID 168901795) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol
PubChem CID168901795
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol
SMILESNc1nnc(-c2ccccc2O)cc1C(F)Cc1ccncc1
InChIInChI=1S/C17H15FN4O/c18-14(9-11-5-7-20-8-6-11)13-10-15(21-22-17(13)19)12-3-1-2-4-16(12)23/h1-8,10,14,23H,9H2,(H2,19,22)
InChIKeyFAWHNAAKABRUGM-UHFFFAOYSA-N
XLogP3.08
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol
CID 137029503
2-(6-amino-5-methylpyridazin-3-yl)phenol
CID 145145780
2-[6-amino-5-[2-methylpropyl(propyl)amino]pyridazin-3-yl]phenol
CID 163401681
2-[6-amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl]phenol;2,2,2-trifluoroacetic acid
CID 137045898
2-[6-amino-5-[(1S)-1-phenylethoxy]pyridazin-3-yl]phenol
CID 137029385
2-[6-amino-5-(4-ethylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 171638960
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol
CID 147428670
7-(1-fluoro-2-pyridin-4-ylethyl)-2,3-dihydro-1H-indole
CID 113394346
2-[5-[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-6-aminopyridazin-3-yl]phenol
CID 137029430
2-[6-amino-5-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenol;ethane
CID 171638010
(3R)-1-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-3-ol
CID 162668961
2-[6-amino-5-(1-benzylpiperidin-4-yl)pyridazin-3-yl]phenol;2-(6-amino-5-piperidin-4-ylpyridazin-3-yl)phenol;2,2,2-trifluoroacetic acid;dihydrochloride
CID 174057899

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol (CID 168901795) is 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol is Nc1nnc(-c2ccccc2O)cc1C(F)Cc1ccncc1.
What is the InChIKey of 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol?
The InChIKey is FAWHNAAKABRUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14(9-11-5-7-20-8-6-11)13-10-15(21-22-17(13)19)12-3-1-2-4-16(12)23/h1-8,10,14,23H,9H2,(H2,19,22).
What are the key properties of 2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol?
2-[6-amino-5-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol has a molecular weight of 310.33 g/mol, XLogP of 3.08, 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-(1-fluoro-2-pyridin-4-ylethyl)pyridazin-3-yl]phenol is sourced from PubChem (CID 168901795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).