6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline

C17H19N5O2 — CID 155823248

IUPAC6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1nccn3c(C)nnc13)CC2
InChIInChI=1S/C17H19N5O2/c1-11-19-20-17-16(18-5-7-22(11)17)21-6-4-12-8-14(23-2)15(24-3)9-13(12)10-21/h5,7-9H,4,6,10H2,1-3H3
InChIKeyUZNZETKSJXHJLT-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.01
Rot. Bonds3

About 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 155823248) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline
PubChem CID155823248
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(c1nccn3c(C)nnc13)CC2
InChIInChI=1S/C17H19N5O2/c1-11-19-20-17-16(18-5-7-22(11)17)21-6-4-12-8-14(23-2)15(24-3)9-13(12)10-21/h5,7-9H,4,6,10H2,1-3H3
InChIKeyUZNZETKSJXHJLT-UHFFFAOYSA-N
XLogP2.01
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524399
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 144743909
6,7-dimethoxy-2-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 99709158
2-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 133290746
2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 56816073
3-methyl-8-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 166605614
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 30636730
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine
CID 6407605
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-diethylpyrimidin-2-amine
CID 112899186
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782
2-(chloromethyl)-5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazole
CID 106959078
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline (CID 155823248) is 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(c1nccn3c(C)nnc13)CC2.
What is the InChIKey of 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline?
The InChIKey is UZNZETKSJXHJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-19-20-17-16(18-5-7-22(11)17)21-6-4-12-8-14(23-2)15(24-3)9-13(12)10-21/h5,7-9H,4,6,10H2,1-3H3.
What are the key properties of 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 325.37 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155823248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).