2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

C20H13F3N6 — CID 70115766

IUPAC2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESFC(F)(F)c1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1
InChIInChI=1S/C20H13F3N6/c21-20(22,23)13-10-12-3-4-14(26-18(12)25-11-13)5-6-17-27-19-15-2-1-8-24-16(15)7-9-29(19)28-17/h1-4,7-11H,5-6H2
InChIKeyLBUVQHLMWHVWOJ-UHFFFAOYSA-N
MW394.36 g/mol
LogP4.02
Rot. Bonds3

About 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (PubChem CID 70115766) has the molecular formula C20H13F3N6 and a molecular weight of 394.36 g/mol. Its IUPAC name is 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
PubChem CID70115766
Molecular FormulaC20H13F3N6
Molecular Weight394.36 g/mol
Exact Mass394.12
IUPAC Name2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESFC(F)(F)c1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1
InChIInChI=1S/C20H13F3N6/c21-20(22,23)13-10-12-3-4-14(26-18(12)25-11-13)5-6-17-27-19-15-2-1-8-24-16(15)7-9-29(19)28-17/h1-4,7-11H,5-6H2
InChIKeyLBUVQHLMWHVWOJ-UHFFFAOYSA-N
XLogP4.02
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (CID 70115766) is 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is FC(F)(F)c1cnc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.
What is the InChIKey of 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The InChIKey is LBUVQHLMWHVWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6/c21-20(22,23)13-10-12-3-4-14(26-18(12)25-11-13)5-6-17-27-19-15-2-1-8-24-16(15)7-9-29(19)28-17/h1-4,7-11H,5-6H2.
What are the key properties of 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine has a molecular weight of 394.36 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(trifluoromethyl)-1,8-naphthyridin-2-yl]ethyl]-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 70115766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).