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

C20H16FN5O — CID 133428060

IUPAC1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C20H16FN5O/c21-15-6-2-1-4-14(15)20-24-23-19-11-10-18(25-26(19)20)22-16-9-8-13-12(16)5-3-7-17(13)27/h1-7,10-11,16,27H,8-9H2,(H,22,25)
InChIKeyPTZIAXASWSUNOQ-UHFFFAOYSA-N
MW361.38 g/mol
LogP3.74
Rot. Bonds3

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

1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol (PubChem CID 133428060) has the molecular formula C20H16FN5O and a molecular weight of 361.38 g/mol. Its IUPAC name is 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol.

Molecular Properties

Compound Name1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol
PubChem CID133428060
Molecular FormulaC20H16FN5O
Molecular Weight361.38 g/mol
Exact Mass361.13
IUPAC Name1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol
SMILESOc1cccc2c1CCC2Nc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C20H16FN5O/c21-15-6-2-1-4-14(15)20-24-23-19-11-10-18(25-26(19)20)22-16-9-8-13-12(16)5-3-7-17(13)27/h1-7,10-11,16,27H,8-9H2,(H,22,25)
InChIKeyPTZIAXASWSUNOQ-UHFFFAOYSA-N
XLogP3.74
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The IUPAC name of 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol (CID 133428060) is 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol.
What is the SMILES notation for 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The canonical SMILES for 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol is Oc1cccc2c1CCC2Nc1ccc2nnc(-c3ccccc3F)n2n1.
What is the InChIKey of 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol?
The InChIKey is PTZIAXASWSUNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O/c21-15-6-2-1-4-14(15)20-24-23-19-11-10-18(25-26(19)20)22-16-9-8-13-12(16)5-3-7-17(13)27/h1-7,10-11,16,27H,8-9H2,(H,22,25).
What are the key properties of 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol?
1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol has a molecular weight of 361.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydro-1H-inden-4-ol is sourced from PubChem (CID 133428060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).