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

C19H17N5O3 — CID 135489150

IUPAC7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESCOc1ccc(Cc2nc(-c3ncc4cccnc4c3O)n[nH]2)cc1OC
InChIInChI=1S/C19H17N5O3/c1-26-13-6-5-11(8-14(13)27-2)9-15-22-19(24-23-15)17-18(25)16-12(10-21-17)4-3-7-20-16/h3-8,10,25H,9H2,1-2H3,(H,22,23,24)
InChIKeyRIIRQZDHOJXXCR-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.73
Rot. Bonds5

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

7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135489150) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135489150
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol
SMILESCOc1ccc(Cc2nc(-c3ncc4cccnc4c3O)n[nH]2)cc1OC
InChIInChI=1S/C19H17N5O3/c1-26-13-6-5-11(8-14(13)27-2)9-15-22-19(24-23-15)17-18(25)16-12(10-21-17)4-3-7-20-16/h3-8,10,25H,9H2,1-2H3,(H,22,23,24)
InChIKeyRIIRQZDHOJXXCR-UHFFFAOYSA-N
XLogP2.73
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol (CID 135489150) is 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is COc1ccc(Cc2nc(-c3ncc4cccnc4c3O)n[nH]2)cc1OC.
What is the InChIKey of 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is RIIRQZDHOJXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-26-13-6-5-11(8-14(13)27-2)9-15-22-19(24-23-15)17-18(25)16-12(10-21-17)4-3-7-20-16/h3-8,10,25H,9H2,1-2H3,(H,22,23,24).
What are the key properties of 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol?
7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 363.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(3,4-dimethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135489150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).