3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C11H10N4 — CID 173146581

IUPAC3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC1=CC2=NNC(c3ccccc3)N2N=C1
InChIInChI=1S/C11H10N4/c1-2-5-9(6-3-1)11-14-13-10-7-4-8-12-15(10)11/h1-8,11,14H
InChIKeyBUASIFPILROCCA-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.46
Rot. Bonds1

About 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 173146581) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID173146581
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESC1=CC2=NNC(c3ccccc3)N2N=C1
InChIInChI=1S/C11H10N4/c1-2-5-9(6-3-1)11-14-13-10-7-4-8-12-15(10)11/h1-8,11,14H
InChIKeyBUASIFPILROCCA-UHFFFAOYSA-N
XLogP1.46
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 173146581) is 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is C1=CC2=NNC(c3ccccc3)N2N=C1.
What is the InChIKey of 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is BUASIFPILROCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-5-9(6-3-1)11-14-13-10-7-4-8-12-15(10)11/h1-8,11,14H.
What are the key properties of 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 198.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,3-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 173146581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).