5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol

C22H22FN5O — CID 133430213

IUPAC5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol
SMILESCC(O)CC(CNc1ccc2nnc(-c3ccccc3F)n2n1)c1ccccc1
InChIInChI=1S/C22H22FN5O/c1-15(29)13-17(16-7-3-2-4-8-16)14-24-20-11-12-21-25-26-22(28(21)27-20)18-9-5-6-10-19(18)23/h2-12,15,17,29H,13-14H2,1H3,(H,24,27)
InChIKeySMMVUMSFVHDAPH-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.90
Rot. Bonds7

About 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol

5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol (PubChem CID 133430213) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol.

Molecular Properties

Compound Name5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol
PubChem CID133430213
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol
SMILESCC(O)CC(CNc1ccc2nnc(-c3ccccc3F)n2n1)c1ccccc1
InChIInChI=1S/C22H22FN5O/c1-15(29)13-17(16-7-3-2-4-8-16)14-24-20-11-12-21-25-26-22(28(21)27-20)18-9-5-6-10-19(18)23/h2-12,15,17,29H,13-14H2,1H3,(H,24,27)
InChIKeySMMVUMSFVHDAPH-UHFFFAOYSA-N
XLogP3.90
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol with MolForge

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Related Compounds

1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
CID 133429685
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
CID 133443774
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
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
CID 133429502
3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 75477278
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 52744781
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133439655

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol?
The IUPAC name of 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol (CID 133430213) is 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol.
What is the SMILES notation for 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol?
The canonical SMILES for 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol is CC(O)CC(CNc1ccc2nnc(-c3ccccc3F)n2n1)c1ccccc1.
What is the InChIKey of 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol?
The InChIKey is SMMVUMSFVHDAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-15(29)13-17(16-7-3-2-4-8-16)14-24-20-11-12-21-25-26-22(28(21)27-20)18-9-5-6-10-19(18)23/h2-12,15,17,29H,13-14H2,1H3,(H,24,27).
What are the key properties of 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol?
5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol has a molecular weight of 391.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol is sourced from PubChem (CID 133430213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).