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

C18H15N5O2 — CID 135471214

IUPAC7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESCOc1cccc(Cc2nc(-c3ncc4cccnc4c3O)n[nH]2)c1
InChIInChI=1S/C18H15N5O2/c1-25-13-6-2-4-11(8-13)9-14-21-18(23-22-14)16-17(24)15-12(10-20-16)5-3-7-19-15/h2-8,10,24H,9H2,1H3,(H,21,22,23)
InChIKeyJUOBZUUSGVRCLV-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.72
Rot. Bonds4

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

7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135471214) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135471214
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESCOc1cccc(Cc2nc(-c3ncc4cccnc4c3O)n[nH]2)c1
InChIInChI=1S/C18H15N5O2/c1-25-13-6-2-4-11(8-13)9-14-21-18(23-22-14)16-17(24)15-12(10-20-16)5-3-7-19-15/h2-8,10,24H,9H2,1H3,(H,21,22,23)
InChIKeyJUOBZUUSGVRCLV-UHFFFAOYSA-N
XLogP2.72
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135471214) is 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is COc1cccc(Cc2nc(-c3ncc4cccnc4c3O)n[nH]2)c1.
What is the InChIKey of 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is JUOBZUUSGVRCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-25-13-6-2-4-11(8-13)9-14-21-18(23-22-14)16-17(24)15-12(10-20-16)5-3-7-19-15/h2-8,10,24H,9H2,1H3,(H,21,22,23).
What are the key properties of 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 333.35 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135471214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).