7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H17FN6 — CID 53189608

IUPAC7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1
InChIInChI=1S/C16H17FN6/c17-14-3-1-13(2-4-14)11-21-5-7-22(8-6-21)15-9-16-20-18-12-23(16)19-10-15/h1-4,9-10,12H,5-8,11H2
InChIKeyXLJRWLQUPKVQDP-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.59
Rot. Bonds3

About 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53189608) has the molecular formula C16H17FN6 and a molecular weight of 312.35 g/mol. Its IUPAC name is 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53189608
Molecular FormulaC16H17FN6
Molecular Weight312.35 g/mol
Exact Mass312.15
IUPAC Name7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFc1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1
InChIInChI=1S/C16H17FN6/c17-14-3-1-13(2-4-14)11-21-5-7-22(8-6-21)15-9-16-20-18-12-23(16)19-10-15/h1-4,9-10,12H,5-8,11H2
InChIKeyXLJRWLQUPKVQDP-UHFFFAOYSA-N
XLogP1.59
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 53189608) is 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Fc1ccc(CN2CCN(c3cnn4cnnc4c3)CC2)cc1.
What is the InChIKey of 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XLJRWLQUPKVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN6/c17-14-3-1-13(2-4-14)11-21-5-7-22(8-6-21)15-9-16-20-18-12-23(16)19-10-15/h1-4,9-10,12H,5-8,11H2.
What are the key properties of 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 312.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53189608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).