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

C16H12N6O — CID 135445370

IUPAC7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3ccncc3)n2)ncc2cccnc12
InChIInChI=1S/C16H12N6O/c23-15-13-11(2-1-5-18-13)9-19-14(15)16-20-12(21-22-16)8-10-3-6-17-7-4-10/h1-7,9,23H,8H2,(H,20,21,22)
InChIKeySBLKBWRWKCJBLV-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.11
Rot. Bonds3

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

7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135445370) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135445370
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESOc1c(-c2n[nH]c(Cc3ccncc3)n2)ncc2cccnc12
InChIInChI=1S/C16H12N6O/c23-15-13-11(2-1-5-18-13)9-19-14(15)16-20-12(21-22-16)8-10-3-6-17-7-4-10/h1-7,9,23H,8H2,(H,20,21,22)
InChIKeySBLKBWRWKCJBLV-UHFFFAOYSA-N
XLogP2.11
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol with MolForge

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Related Compounds

7-(5-benzyl-4H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
CID 135422932
7-(5-phenethyl-4H-1,2,4-triazol-3-yl)-1,6-naphthyridin-8-ol
CID 135424644
7-[5-(3,4-Dimethoxybenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135489150
7-[5-(3-Chlorobenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135507442
7-[5-(4-Fluorobenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135518254
7-[5-[(4-chlorophenyl)methyl]-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135540473
5-fluoro-2-[(3S)-3-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperazin-1-yl]-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)pyridin-3-ol
CID 136250327
7-[5-(3-Methoxybenzyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135471214
7-[5-(3-pyridylmethyl)-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135497031
7-[5-[(4-Fluorophenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135869505
5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-4H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135448260
7-[5-[(4-Fluorophenyl)methyl]-2-methyl-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
CID 135869506

Frequently Asked Questions

What is the IUPAC name of 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135445370) is 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is Oc1c(-c2n[nH]c(Cc3ccncc3)n2)ncc2cccnc12.
What is the InChIKey of 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is SBLKBWRWKCJBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c23-15-13-11(2-1-5-18-13)9-19-14(15)16-20-12(21-22-16)8-10-3-6-17-7-4-10/h1-7,9,23H,8H2,(H,20,21,22).
What are the key properties of 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 304.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(pyridin-4-ylmethyl)-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135445370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).