8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

C11H12N4 — CID 103144020

IUPAC8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(-n3cncn3)c1)CNCC2
InChIInChI=1S/C11H12N4/c1-2-9-4-5-12-6-10(9)11(3-1)15-8-13-7-14-15/h1-3,7-8,12H,4-6H2
InChIKeyYMWLPOCYTRYHMQ-UHFFFAOYSA-N
MW200.25 g/mol
LogP0.91
Rot. Bonds1

About 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline

8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 103144020) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID103144020
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1cc2c(c(-n3cncn3)c1)CNCC2
InChIInChI=1S/C11H12N4/c1-2-9-4-5-12-6-10(9)11(3-1)15-8-13-7-14-15/h1-3,7-8,12H,4-6H2
InChIKeyYMWLPOCYTRYHMQ-UHFFFAOYSA-N
XLogP0.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(4-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114491149
3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one
CID 103124914
8-chloro-1,2,3,4-tetrahydroisoquinoline
CID 12595071
2-(1,2,4-triazol-1-yl)benzoic acid;hydrochloride
CID 50853299
8-(4-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103142180
8-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 45074043
N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
tert-butyl 4-(1,2,3,4-tetrahydroisoquinolin-8-yl)piperazine-1-carboxylate
CID 21070954
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
2-bromo-6-(1,2,4-triazol-1-yl)aniline
CID 84701038
3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine
CID 117358223
N-[2-(1,2,4-triazol-1-yl)phenyl]piperazine-1-sulfonamide
CID 61253900

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 103144020) is 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline is c1cc2c(c(-n3cncn3)c1)CNCC2.
What is the InChIKey of 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is YMWLPOCYTRYHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-9-4-5-12-6-10(9)11(3-1)15-8-13-7-14-15/h1-3,7-8,12H,4-6H2.
What are the key properties of 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline?
8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 200.25 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,4-triazol-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 103144020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).