1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline

C12H12N4 — CID 143186331

IUPAC1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2c1nccnn1
InChIInChI=1S/C12H12N4/c1-2-4-10-9(3-1)5-6-13-11(10)12-14-7-8-15-16-12/h1-4,7-8,11,13H,5-6H2
InChIKeyBOESFGXVHCBUPH-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.11
Rot. Bonds1

About 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline

1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 143186331) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID143186331
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2c1nccnn1
InChIInChI=1S/C12H12N4/c1-2-4-10-9(3-1)5-6-13-11(10)12-14-7-8-15-16-12/h1-4,7-8,11,13H,5-6H2
InChIKeyBOESFGXVHCBUPH-UHFFFAOYSA-N
XLogP1.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 81228390
1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline
CID 54756531
(2S,3S)-2,3-dihydroxybutanedioic acid;(1R)-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 86753649
4-methyl-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]thiadiazole
CID 70167759
1-(3-methyltriazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114687785
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-phenyl-1,2,3,4-tetrahydroisoquinoline carbamate
CID 22358994
1-[6-(trifluoromethyl)-3-pyridinyl]-1,2,3,4-tetrahydroisoquinoline
CID 59536278
1-[4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]ethanone
CID 57224737
1-bromo-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 174787793
(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869361

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 143186331) is 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2c1nccnn1.
What is the InChIKey of 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BOESFGXVHCBUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-2-4-10-9(3-1)5-6-13-11(10)12-14-7-8-15-16-12/h1-4,7-8,11,13H,5-6H2.
What are the key properties of 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline?
1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 212.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 143186331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).