7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline

C14H13N5 — CID 103293930

IUPAC7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cnn2c(-c3ccc4c(c3)CNCC4)nnc2c1
InChIInChI=1S/C14H13N5/c1-2-13-17-18-14(19(13)16-6-1)11-4-3-10-5-7-15-9-12(10)8-11/h1-4,6,8,15H,5,7,9H2
InChIKeyAQWVYBDBHURAFC-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.44
Rot. Bonds1

About 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline

7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 103293930) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID103293930
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cnn2c(-c3ccc4c(c3)CNCC4)nnc2c1
InChIInChI=1S/C14H13N5/c1-2-13-17-18-14(19(13)16-6-1)11-4-3-10-5-7-15-9-12(10)8-11/h1-4,6,8,15H,5,7,9H2
InChIKeyAQWVYBDBHURAFC-UHFFFAOYSA-N
XLogP1.44
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 103293930) is 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline is c1cnn2c(-c3ccc4c(c3)CNCC4)nnc2c1.
What is the InChIKey of 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AQWVYBDBHURAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c1-2-13-17-18-14(19(13)16-6-1)11-4-3-10-5-7-15-9-12(10)8-11/h1-4,6,8,15H,5,7,9H2.
What are the key properties of 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 251.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 103293930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).