8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine

C16H17N5O — CID 119037718

IUPAC8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine
SMILESCOc1cccc2c(NC3CCCn4ncnc43)ccnc12
InChIInChI=1S/C16H17N5O/c1-22-14-6-2-4-11-12(7-8-17-15(11)14)20-13-5-3-9-21-16(13)18-10-19-21/h2,4,6-8,10,13H,3,5,9H2,1H3,(H,17,20)
InChIKeyLYTQRTOGWCPOQD-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.78
Rot. Bonds3

About 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine

8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine (PubChem CID 119037718) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine
PubChem CID119037718
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine
SMILESCOc1cccc2c(NC3CCCn4ncnc43)ccnc12
InChIInChI=1S/C16H17N5O/c1-22-14-6-2-4-11-12(7-8-17-15(11)14)20-13-5-3-9-21-16(13)18-10-19-21/h2,4,6-8,10,13H,3,5,9H2,1H3,(H,17,20)
InChIKeyLYTQRTOGWCPOQD-UHFFFAOYSA-N
XLogP2.78
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine?
The IUPAC name of 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine (CID 119037718) is 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine.
What is the SMILES notation for 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine?
The canonical SMILES for 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine is COc1cccc2c(NC3CCCn4ncnc43)ccnc12.
What is the InChIKey of 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine?
The InChIKey is LYTQRTOGWCPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-22-14-6-2-4-11-12(7-8-17-15(11)14)20-13-5-3-9-21-16(13)18-10-19-21/h2,4,6-8,10,13H,3,5,9H2,1H3,(H,17,20).
What are the key properties of 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine?
8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine has a molecular weight of 295.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)quinolin-4-amine is sourced from PubChem (CID 119037718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).