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

C17H18FN5O — CID 133429502

IUPAC[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
SMILESOCC1(Nc2ccc3nnc(-c4ccccc4F)n3n2)CCCC1
InChIInChI=1S/C17H18FN5O/c18-13-6-2-1-5-12(13)16-21-20-15-8-7-14(22-23(15)16)19-17(11-24)9-3-4-10-17/h1-2,5-8,24H,3-4,9-11H2,(H,19,22)
InChIKeyNTHGYQFRZSNMOY-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.65
Rot. Bonds4

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

[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol (PubChem CID 133429502) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is [1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
PubChem CID133429502
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
SMILESOCC1(Nc2ccc3nnc(-c4ccccc4F)n3n2)CCCC1
InChIInChI=1S/C17H18FN5O/c18-13-6-2-1-5-12(13)16-21-20-15-8-7-14(22-23(15)16)19-17(11-24)9-3-4-10-17/h1-2,5-8,24H,3-4,9-11H2,(H,19,22)
InChIKeyNTHGYQFRZSNMOY-UHFFFAOYSA-N
XLogP2.65
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.65
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]cyclopentyl]methanol?
The IUPAC name of [1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol (CID 133429502) is [1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol is OCC1(Nc2ccc3nnc(-c4ccccc4F)n3n2)CCCC1.
What is the InChIKey of [1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol?
The InChIKey is NTHGYQFRZSNMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c18-13-6-2-1-5-12(13)16-21-20-15-8-7-14(22-23(15)16)19-17(11-24)9-3-4-10-17/h1-2,5-8,24H,3-4,9-11H2,(H,19,22).
What are the key properties of [1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol?
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol has a molecular weight of 327.36 g/mol, XLogP of 2.65, 4 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]cyclopentyl]methanol is sourced from PubChem (CID 133429502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).