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

C15H16FN5O2 — CID 133429204

IUPAC2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C15H16FN5O2/c1-15(8-22,9-23)17-12-6-7-13-18-19-14(21(13)20-12)10-4-2-3-5-11(10)16/h2-7,22-23H,8-9H2,1H3,(H,17,20)
InChIKeyJYWXVYGOPUUQAF-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.09
Rot. Bonds5

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

2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol (PubChem CID 133429204) has the molecular formula C15H16FN5O2 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol
PubChem CID133429204
Molecular FormulaC15H16FN5O2
Molecular Weight317.32 g/mol
Exact Mass317.13
IUPAC Name2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C15H16FN5O2/c1-15(8-22,9-23)17-12-6-7-13-18-19-14(21(13)20-12)10-4-2-3-5-11(10)16/h2-7,22-23H,8-9H2,1H3,(H,17,20)
InChIKeyJYWXVYGOPUUQAF-UHFFFAOYSA-N
XLogP1.09
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
[2-(4-Fluoro-phenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]-(2-methoxy-ethyl)-amine
CID 3230006
2-[5-Methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol
CID 53391862
N-(Phenylmethyl)-3-(trifluoromethyl)-1,2,4-triazolo[4,3-b]pyridazin-6-amine
CID 563872
3-Methyl-6-(m-fluorophenyl)-1,2,4-triazolo-[4,3-b]pyridazine
CID 12726822
3-Methyl-6-(o-fluorophenyl)-1,2,4-triazolo-[4,3-b]pyridazine
CID 12726823

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-methylpropane-1,3-diol?
The IUPAC name of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol (CID 133429204) is 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol is CC(CO)(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-methylpropane-1,3-diol?
The InChIKey is JYWXVYGOPUUQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O2/c1-15(8-22,9-23)17-12-6-7-13-18-19-14(21(13)20-12)10-4-2-3-5-11(10)16/h2-7,22-23H,8-9H2,1H3,(H,17,20).
What are the key properties of 2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol?
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropane-1,3-diol has a molecular weight of 317.32 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-methylpropane-1,3-diol is sourced from PubChem (CID 133429204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).