7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

C18H15N5O — CID 135424644

IUPAC7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(CCc3ccccc3)n2)ncc2cccnc12
InChIInChI=1S/C18H15N5O/c24-17-15-13(7-4-10-19-15)11-20-16(17)18-21-14(22-23-18)9-8-12-5-2-1-3-6-12/h1-7,10-11,24H,8-9H2,(H,21,22,23)
InChIKeyPSRDISVBQDUASD-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.91
Rot. Bonds4

About 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol

7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135424644) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135424644
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(CCc3ccccc3)n2)ncc2cccnc12
InChIInChI=1S/C18H15N5O/c24-17-15-13(7-4-10-19-15)11-20-16(17)18-21-14(22-23-18)9-8-12-5-2-1-3-6-12/h1-7,10-11,24H,8-9H2,(H,21,22,23)
InChIKeyPSRDISVBQDUASD-UHFFFAOYSA-N
XLogP2.91
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135424644) is 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is Oc1c(-c2n[nH]c(CCc3ccccc3)n2)ncc2cccnc12.
What is the InChIKey of 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is PSRDISVBQDUASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c24-17-15-13(7-4-10-19-15)11-20-16(17)18-21-14(22-23-18)9-8-12-5-2-1-3-6-12/h1-7,10-11,24H,8-9H2,(H,21,22,23).
What are the key properties of 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 317.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135424644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).