7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

C17H16N4O3 — CID 3723532

IUPAC7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccco3)Nc3ncnn32)cc1OC
InChIInChI=1S/C17H16N4O3/c1-22-15-6-5-11(8-16(15)23-2)13-9-12(14-4-3-7-24-14)20-17-18-10-19-21(13)17/h3-10,13H,1-2H3,(H,18,19,20)
InChIKeyZWBYCFIAQSTAJT-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.94
Rot. Bonds4

About 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine

7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 3723532) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID3723532
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(C2C=C(c3ccco3)Nc3ncnn32)cc1OC
InChIInChI=1S/C17H16N4O3/c1-22-15-6-5-11(8-16(15)23-2)13-9-12(14-4-3-7-24-14)20-17-18-10-19-21(13)17/h3-10,13H,1-2H3,(H,18,19,20)
InChIKeyZWBYCFIAQSTAJT-UHFFFAOYSA-N
XLogP2.94
TPSA74.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine 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-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine (CID 3723532) is 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(C2C=C(c3ccco3)Nc3ncnn32)cc1OC.
What is the InChIKey of 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZWBYCFIAQSTAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-22-15-6-5-11(8-16(15)23-2)13-9-12(14-4-3-7-24-14)20-17-18-10-19-21(13)17/h3-10,13H,1-2H3,(H,18,19,20).
What are the key properties of 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 324.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethoxyphenyl)-5-(furan-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 3723532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).