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

C15H16FN5O — CID 133434777

IUPAC(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C15H16FN5O/c1-2-10(9-22)17-13-7-8-14-18-19-15(21(14)20-13)11-5-3-4-6-12(11)16/h3-8,10,22H,2,9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyFOMLUPTYJOSUAK-JTQLQIEISA-N
MW301.32 g/mol
LogP2.11
Rot. Bonds5

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

(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 133434777) has the molecular formula C15H16FN5O and a molecular weight of 301.32 g/mol. Its IUPAC name is (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID133434777
Molecular FormulaC15H16FN5O
Molecular Weight301.32 g/mol
Exact Mass301.13
IUPAC Name(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCC[C@@H](CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C15H16FN5O/c1-2-10(9-22)17-13-7-8-14-18-19-15(21(14)20-13)11-5-3-4-6-12(11)16/h3-8,10,22H,2,9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyFOMLUPTYJOSUAK-JTQLQIEISA-N
XLogP2.11
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
CID 133443774
(2S)-2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434767
1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
CID 133429685
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
CID 133429502
2-[[3-[2-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
CID 126473469
5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol
CID 133430213
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428327
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 47072300
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
CID 133309787
3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47072288
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol (CID 133434777) is (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol is CC[C@@H](CO)Nc1ccc2nnc(-c3ccccc3F)n2n1.
What is the InChIKey of (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is FOMLUPTYJOSUAK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16FN5O/c1-2-10(9-22)17-13-7-8-14-18-19-15(21(14)20-13)11-5-3-4-6-12(11)16/h3-8,10,22H,2,9H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol?
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 301.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 133434777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).