5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C16H17N5O — CID 82555646

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(N2CCc3ccccc3C2)n2nc(N)nc12
InChIInChI=1S/C16H17N5O/c1-22-13-6-7-14(21-15(13)18-16(17)19-21)20-9-8-11-4-2-3-5-12(11)10-20/h2-7H,8-10H2,1H3,(H2,17,19)
InChIKeyAKEOJYWBNPFZSS-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.88
Rot. Bonds2

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine

5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82555646) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82555646
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCOc1ccc(N2CCc3ccccc3C2)n2nc(N)nc12
InChIInChI=1S/C16H17N5O/c1-22-13-6-7-14(21-15(13)18-16(17)19-21)20-9-8-11-4-2-3-5-12(11)10-20/h2-7H,8-10H2,1H3,(H2,17,19)
InChIKeyAKEOJYWBNPFZSS-UHFFFAOYSA-N
XLogP1.88
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82555646) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine is COc1ccc(N2CCc3ccccc3C2)n2nc(N)nc12.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is AKEOJYWBNPFZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-13-6-7-14(21-15(13)18-16(17)19-21)20-9-8-11-4-2-3-5-12(11)10-20/h2-7H,8-10H2,1H3,(H2,17,19).
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 295.35 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82555646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).