2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol

C16H18FN5O — CID 133429244

IUPAC2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C16H18FN5O/c1-3-16(2,10-23)18-13-8-9-14-19-20-15(22(14)21-13)11-6-4-5-7-12(11)17/h4-9,23H,3,10H2,1-2H3,(H,18,21)
InChIKeyKRZDNDIWIZHJDX-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.50
Rot. Bonds5

About 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol

2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol (PubChem CID 133429244) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol
PubChem CID133429244
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C16H18FN5O/c1-3-16(2,10-23)18-13-8-9-14-19-20-15(22(14)21-13)11-6-4-5-7-12(11)17/h4-9,23H,3,10H2,1-2H3,(H,18,21)
InChIKeyKRZDNDIWIZHJDX-UHFFFAOYSA-N
XLogP2.50
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol with MolForge

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Related Compounds

(2R)-2-((4-(benzylamino)-8-(1-methylethyl)pyrazolo(1,5-a)(1,3,5)triazin-2-yl)amino)butan-1-ol
CID 25190761
(2S)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
CID 25190764
2-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3231326
3-[2-Ethyl-3-(4-fluoro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ylamino]-propan-1-ol
CID 3231330
2-[[2-Ethyl-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-methylamino]ethanol
CID 3231332
3-[[3-(4-Fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]propyl-dipropyl-amine
CID 9550643
N-cyclopropyl-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10333282
N-cyclopropyl-3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 10378377
6-(p-Fluorophenyl)-3-methyl-1,2,4-triazolo[4,3-b]pyridazine
CID 12726821
3-(4-Fluorophenyl)-6-morpholin-4-yl[1,2,4]triazolo[4,3-b]pyridazine
CID 21443955
(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
CID 25124680
(2R)-7-amino-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol
CID 59534278

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol (CID 133429244) is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1.
What is the InChIKey of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol?
The InChIKey is KRZDNDIWIZHJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-3-16(2,10-23)18-13-8-9-14-19-20-15(22(14)21-13)11-6-4-5-7-12(11)17/h4-9,23H,3,10H2,1-2H3,(H,18,21).
What are the key properties of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol?
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol has a molecular weight of 315.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 133429244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).