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

C16H14N6O3 — CID 18960655

IUPAC5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1ccc(-c2nc(N)n3nc(-c4ccco4)nc3n2)cc1OC
InChIInChI=1S/C16H14N6O3/c1-23-10-6-5-9(8-12(10)24-2)13-18-15(17)22-16(19-13)20-14(21-22)11-4-3-7-25-11/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyOQXHEFRBIHDCGE-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.05
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 18960655) has the molecular formula C16H14N6O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID18960655
Molecular FormulaC16H14N6O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1ccc(-c2nc(N)n3nc(-c4ccco4)nc3n2)cc1OC
InChIInChI=1S/C16H14N6O3/c1-23-10-6-5-9(8-12(10)24-2)13-18-15(17)22-16(19-13)20-14(21-22)11-4-3-7-25-11/h3-8H,1-2H3,(H2,17,18,19,20,21)
InChIKeyOQXHEFRBIHDCGE-UHFFFAOYSA-N
XLogP2.05
TPSA113.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 18960655) is 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is COc1ccc(-c2nc(N)n3nc(-c4ccco4)nc3n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is OQXHEFRBIHDCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O3/c1-23-10-6-5-9(8-12(10)24-2)13-18-15(17)22-16(19-13)20-14(21-22)11-4-3-7-25-11/h3-8H,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 338.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 18960655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).