5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline

C10H11N3 — CID 91358727

IUPAC5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline
SMILESC1=CC2=C(CC1)CCn1ncnc12
InChIInChI=1S/C10H11N3/c1-2-4-9-8(3-1)5-6-13-10(9)11-7-12-13/h2,4,7H,1,3,5-6H2
InChIKeyFURPMKAZKJOBCH-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.79
Rot. Bonds

About 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline

5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline (PubChem CID 91358727) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline
PubChem CID91358727
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline
SMILESC1=CC2=C(CC1)CCn1ncnc12
InChIInChI=1S/C10H11N3/c1-2-4-9-8(3-1)5-6-13-10(9)11-7-12-13/h2,4,7H,1,3,5-6H2
InChIKeyFURPMKAZKJOBCH-UHFFFAOYSA-N
XLogP1.79
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline with MolForge

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Related Compounds

5-Cyclohexa-1,5-dien-1-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 89912468
6,7-Dimethyl-9-methylidene-8,9-dihydro-5H-[1,2,4]triazolo[1,5-a]azepine
CID 21827471
5,6,7,10-Tetrahydro-[1,2,4]triazolo[3,4-a]isoquinoline
CID 21959585
6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517530
iridium;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517607
iridium;10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517727
iridium;5-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517805
platinum;10H-[1,2,4]triazolo[3,4-a]isoquinolin-10-ide
CID 58517896
iridium;2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58517956
2-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide;platinum
CID 58517961
iridium;6-methyl-10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58518015
platinum;10H-[1,2,4]triazolo[5,1-a]isoquinolin-10-ide
CID 58518017

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline?
The IUPAC name of 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline (CID 91358727) is 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline.
What is the SMILES notation for 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline?
The canonical SMILES for 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline is C1=CC2=C(CC1)CCn1ncnc12.
What is the InChIKey of 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline?
The InChIKey is FURPMKAZKJOBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-9-8(3-1)5-6-13-10(9)11-7-12-13/h2,4,7H,1,3,5-6H2.
What are the key properties of 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline?
5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline has a molecular weight of 173.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-[1,2,4]triazolo[5,1-a]isoquinoline is sourced from PubChem (CID 91358727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).