4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol

C17H13N5O — CID 58955248

IUPAC4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C17H13N5O/c23-14-5-3-12(4-6-14)10-17-20-19-16-8-7-15(21-22(16)17)13-2-1-9-18-11-13/h1-9,11,23H,10H2
InChIKeyZFPBESMGNHNDBS-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.48
Rot. Bonds3

About 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol

4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol (PubChem CID 58955248) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
PubChem CID58955248
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
SMILESOc1ccc(Cc2nnc3ccc(-c4cccnc4)nn23)cc1
InChIInChI=1S/C17H13N5O/c23-14-5-3-12(4-6-14)10-17-20-19-16-8-7-15(21-22(16)17)13-2-1-9-18-11-13/h1-9,11,23H,10H2
InChIKeyZFPBESMGNHNDBS-UHFFFAOYSA-N
XLogP2.48
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol with MolForge

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Related Compounds

Phtpp
CID 11201035
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
4-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-B][1,2,4]triazin-3-Yl]methyl]phenol
CID 11324689
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
4-[(6-Phenyl[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]phenol
CID 24901697
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157
4-[3-Phenyl-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135409570
4-((6-Phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)phenol
CID 24901698

Frequently Asked Questions

What is the IUPAC name of 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
The IUPAC name of 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol (CID 58955248) is 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol is Oc1ccc(Cc2nnc3ccc(-c4cccnc4)nn23)cc1.
What is the InChIKey of 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
The InChIKey is ZFPBESMGNHNDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-14-5-3-12(4-6-14)10-17-20-19-16-8-7-15(21-22(16)17)13-2-1-9-18-11-13/h1-9,11,23H,10H2.
What are the key properties of 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol?
4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol has a molecular weight of 303.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol is sourced from PubChem (CID 58955248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).