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

C17H13N5O — CID 135422932

IUPAC7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3ccccc3)n2)ncc2cccnc12
InChIInChI=1S/C17H13N5O/c23-16-14-12(7-4-8-18-14)10-19-15(16)17-20-13(21-22-17)9-11-5-2-1-3-6-11/h1-8,10,23H,9H2,(H,20,21,22)
InChIKeyFRLMOPXJKYHCTA-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.71
Rot. Bonds3

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

7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol (PubChem CID 135422932) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
PubChem CID135422932
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3ccccc3)n2)ncc2cccnc12
InChIInChI=1S/C17H13N5O/c23-16-14-12(7-4-8-18-14)10-19-15(16)17-20-13(21-22-17)9-11-5-2-1-3-6-11/h1-8,10,23H,9H2,(H,20,21,22)
InChIKeyFRLMOPXJKYHCTA-UHFFFAOYSA-N
XLogP2.71
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
The IUPAC name of 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol (CID 135422932) is 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol is Oc1c(-c2n[nH]c(Cc3ccccc3)n2)ncc2cccnc12.
What is the InChIKey of 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
The InChIKey is FRLMOPXJKYHCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-16-14-12(7-4-8-18-14)10-19-15(16)17-20-13(21-22-17)9-11-5-2-1-3-6-11/h1-8,10,23H,9H2,(H,20,21,22).
What are the key properties of 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol?
7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol has a molecular weight of 303.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-benzyl-1H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135422932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).