2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine

C15H16N6 — CID 114524399

IUPAC2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCc1nnc2c(N3CCc4cccc(N)c4C3)nccn12
InChIInChI=1S/C15H16N6/c1-10-18-19-15-14(17-6-8-21(10)15)20-7-5-11-3-2-4-13(16)12(11)9-20/h2-4,6,8H,5,7,9,16H2,1H3
InChIKeyUDJZCMXXHSBECI-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.58
Rot. Bonds1

About 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine

2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524399) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524399
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCc1nnc2c(N3CCc4cccc(N)c4C3)nccn12
InChIInChI=1S/C15H16N6/c1-10-18-19-15-14(17-6-8-21(10)15)20-7-5-11-3-2-4-13(16)12(11)9-20/h2-4,6,8H,5,7,9,16H2,1H3
InChIKeyUDJZCMXXHSBECI-UHFFFAOYSA-N
XLogP1.58
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinoline
CID 155823248
2-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524501
2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-3-amine
CID 16783390
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-ethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524429
2-(5-methoxy-2-pyridinyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 106504531
1-(2,3-dihydroindol-1-yl)-2-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)piperidin-4-yl]ethanone
CID 171997570
3-methyl-8-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 155942767
2-thieno[3,2-d]pyrimidin-4-yl-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524521
2-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524548
4-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-5-bromo-1H-pyrimidin-6-one
CID 136979156
8-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 115314782

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524399) is 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine is Cc1nnc2c(N3CCc4cccc(N)c4C3)nccn12.
What is the InChIKey of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is UDJZCMXXHSBECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-18-19-15-14(17-6-8-21(10)15)20-7-5-11-3-2-4-13(16)12(11)9-20/h2-4,6,8H,5,7,9,16H2,1H3.
What are the key properties of 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine?
2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 280.34 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).