6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H14FN7O — CID 139029268

IUPAC6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cnc(OC2CCN(c3ccc4nncn4n3)CC2)nc1
InChIInChI=1S/C14H14FN7O/c15-10-7-16-14(17-8-10)23-11-3-5-21(6-4-11)13-2-1-12-19-18-9-22(12)20-13/h1-2,7-9,11H,3-6H2
InChIKeyWZTUIGDNMCQNSH-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.10
Rot. Bonds3

About 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 139029268) has the molecular formula C14H14FN7O and a molecular weight of 315.31 g/mol. Its IUPAC name is 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID139029268
Molecular FormulaC14H14FN7O
Molecular Weight315.31 g/mol
Exact Mass315.12
IUPAC Name6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1cnc(OC2CCN(c3ccc4nncn4n3)CC2)nc1
InChIInChI=1S/C14H14FN7O/c15-10-7-16-14(17-8-10)23-11-3-5-21(6-4-11)13-2-1-12-19-18-9-22(12)20-13/h1-2,7-9,11H,3-6H2
InChIKeyWZTUIGDNMCQNSH-UHFFFAOYSA-N
XLogP1.10
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpyrimidine
CID 139028665
6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166603493
N-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 29132243
2-[4-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-5-fluoropyrimidine
CID 146078517
6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171702464
4-N,4-N-dimethyl-6-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888461
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139023196
4-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 139028684
6-[4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]pyrido[2,3-b]pyrazine
CID 133281306
6-methoxy-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]propanamide
CID 163348995

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 139029268) is 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Fc1cnc(OC2CCN(c3ccc4nncn4n3)CC2)nc1.
What is the InChIKey of 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WZTUIGDNMCQNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN7O/c15-10-7-16-14(17-8-10)23-11-3-5-21(6-4-11)13-2-1-12-19-18-9-22(12)20-13/h1-2,7-9,11H,3-6H2.
What are the key properties of 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 315.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 139029268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).