2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

C18H15N7 — CID 57414649

IUPAC2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESCc1cccc2nc(CCc3nc4c5cccnc5ccn4n3)nn12
InChIInChI=1S/C18H15N7/c1-12-4-2-6-17-20-15(23-25(12)17)7-8-16-21-18-13-5-3-10-19-14(13)9-11-24(18)22-16/h2-6,9-11H,7-8H2,1H3
InChIKeyQLPAMXXMURUISE-UHFFFAOYSA-N
MW329.37 g/mol
LogP2.41
Rot. Bonds3

About 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (PubChem CID 57414649) has the molecular formula C18H15N7 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
PubChem CID57414649
Molecular FormulaC18H15N7
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESCc1cccc2nc(CCc3nc4c5cccnc5ccn4n3)nn12
InChIInChI=1S/C18H15N7/c1-12-4-2-6-17-20-15(23-25(12)17)7-8-16-21-18-13-5-3-10-19-14(13)9-11-24(18)22-16/h2-6,9-11H,7-8H2,1H3
InChIKeyQLPAMXXMURUISE-UHFFFAOYSA-N
XLogP2.41
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (CID 57414649) is 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is Cc1cccc2nc(CCc3nc4c5cccnc5ccn4n3)nn12.
What is the InChIKey of 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The InChIKey is QLPAMXXMURUISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7/c1-12-4-2-6-17-20-15(23-25(12)17)7-8-16-21-18-13-5-3-10-19-14(13)9-11-24(18)22-16/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine has a molecular weight of 329.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 57414649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).