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

C20H22FN5O — CID 133295323

IUPAC[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C20H22FN5O/c21-16-5-3-13(4-6-16)19(27)14-9-11-25(12-10-14)18-8-7-17-22-23-20(15-1-2-15)26(17)24-18/h3-8,14-15,19,27H,1-2,9-12H2
InChIKeyDVVZGSSQDWJBBL-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.09
Rot. Bonds4

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

[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol (PubChem CID 133295323) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
PubChem CID133295323
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1)C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C20H22FN5O/c21-16-5-3-13(4-6-16)19(27)14-9-11-25(12-10-14)18-8-7-17-22-23-20(15-1-2-15)26(17)24-18/h3-8,14-15,19,27H,1-2,9-12H2
InChIKeyDVVZGSSQDWJBBL-UHFFFAOYSA-N
XLogP3.09
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133294652
3-cyclopropyl-6-(4-imidazol-1-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 133301058
[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155974609
3-cyclobutyl-6-(4-propan-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 53016958
3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-2-phenylacetamide
CID 134802364
3-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912401
N-[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
CID 166605359
2-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-3,4-dihydro-1H-isoquinoline
CID 163344367
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]oxolan-3-ol
CID 126912541
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol (CID 133295323) is [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol is OC(c1ccc(F)cc1)C1CCN(c2ccc3nnc(C4CC4)n3n2)CC1.
What is the InChIKey of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is DVVZGSSQDWJBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c21-16-5-3-13(4-6-16)19(27)14-9-11-25(12-10-14)18-8-7-17-22-23-20(15-1-2-15)26(17)24-18/h3-8,14-15,19,27H,1-2,9-12H2.
What are the key properties of [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol?
[1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 367.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyclopropyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 133295323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).