[2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

C13H17N5 — CID 114223076

IUPAC[2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCn1nncc1N1CCc2ccccc2C1CN
InChIInChI=1S/C13H17N5/c1-17-13(9-15-16-17)18-7-6-10-4-2-3-5-11(10)12(18)8-14/h2-5,9,12H,6-8,14H2,1H3
InChIKeyDHUODCUKPNZXJM-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.88
Rot. Bonds2

About [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine

[2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (PubChem CID 114223076) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
PubChem CID114223076
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name[2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
SMILESCn1nncc1N1CCc2ccccc2C1CN
InChIInChI=1S/C13H17N5/c1-17-13(9-15-16-17)18-7-6-10-4-2-3-5-11(10)12(18)8-14/h2-5,9,12H,6-8,14H2,1H3
InChIKeyDHUODCUKPNZXJM-UHFFFAOYSA-N
XLogP0.88
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine with MolForge

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Related Compounds

(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine
CID 113369044
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63949433
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 82506899
1-(aminomethyl)-N-tert-butyl-3,4-dihydro-1H-isoquinoline-2-sulfonamide
CID 114804954
[2-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 114528295
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]pyrimidine-4-carbonitrile
CID 107552884
4-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136979469
1-(3-methyltriazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114687785
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 63949438
methyl 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propanoate
CID 113369056
[2-(3-imidazol-1-ylpropyl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 63948415
N-[2,3-dihydro-1H-inden-1-yl-(3-methyltriazol-4-yl)methyl]ethanamine
CID 114688144

Frequently Asked Questions

What is the IUPAC name of [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The IUPAC name of [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine (CID 114223076) is [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine.
What is the SMILES notation for [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The canonical SMILES for [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is Cn1nncc1N1CCc2ccccc2C1CN.
What is the InChIKey of [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
The InChIKey is DHUODCUKPNZXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-13(9-15-16-17)18-7-6-10-4-2-3-5-11(10)12(18)8-14/h2-5,9,12H,6-8,14H2,1H3.
What are the key properties of [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine?
[2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyltriazol-4-yl)-3,4-dihydro-1H-isoquinolin-1-yl]methanamine is sourced from PubChem (CID 114223076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).