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

C19H14N6 — CID 70648613

IUPAC2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESc1cnc2ccc(CCc3nc4c5cccnc5ccn4n3)nc2c1
InChIInChI=1S/C19H14N6/c1-3-14-15(20-10-1)9-12-25-19(14)23-18(24-25)8-6-13-5-7-16-17(22-13)4-2-11-21-16/h1-5,7,9-12H,6,8H2
InChIKeyPAKULXUKDMTARK-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.01
Rot. Bonds3

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

2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (PubChem CID 70648613) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
PubChem CID70648613
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESc1cnc2ccc(CCc3nc4c5cccnc5ccn4n3)nc2c1
InChIInChI=1S/C19H14N6/c1-3-14-15(20-10-1)9-12-25-19(14)23-18(24-25)8-6-13-5-7-16-17(22-13)4-2-11-21-16/h1-5,7,9-12H,6,8H2
InChIKeyPAKULXUKDMTARK-UHFFFAOYSA-N
XLogP3.01
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (CID 70648613) is 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is c1cnc2ccc(CCc3nc4c5cccnc5ccn4n3)nc2c1.
What is the InChIKey of 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The InChIKey is PAKULXUKDMTARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-3-14-15(20-10-1)9-12-25-19(14)23-18(24-25)8-6-13-5-7-16-17(22-13)4-2-11-21-16/h1-5,7,9-12H,6,8H2.
What are the key properties of 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine has a molecular weight of 326.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,5-naphthyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 70648613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).