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

C15H12N6O2 — CID 19097279

IUPAC2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1ccc(-c2nc(N)n3nc(-c4ccco4)nc3n2)cc1
InChIInChI=1S/C15H12N6O2/c1-22-10-6-4-9(5-7-10)12-17-14(16)21-15(18-12)19-13(20-21)11-3-2-8-23-11/h2-8H,1H3,(H2,16,17,18,19,20)
InChIKeySXWZHPLBJVWNQF-UHFFFAOYSA-N
MW308.30 g/mol
LogP2.04
Rot. Bonds3

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

2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (PubChem CID 19097279) has the molecular formula C15H12N6O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
PubChem CID19097279
Molecular FormulaC15H12N6O2
Molecular Weight308.30 g/mol
Exact Mass308.10
IUPAC Name2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine
SMILESCOc1ccc(-c2nc(N)n3nc(-c4ccco4)nc3n2)cc1
InChIInChI=1S/C15H12N6O2/c1-22-10-6-4-9(5-7-10)12-17-14(16)21-15(18-12)19-13(20-21)11-3-2-8-23-11/h2-8H,1H3,(H2,16,17,18,19,20)
InChIKeySXWZHPLBJVWNQF-UHFFFAOYSA-N
XLogP2.04
TPSA104.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The IUPAC name of 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine (CID 19097279) is 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine.
What is the SMILES notation for 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The canonical SMILES for 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is COc1ccc(-c2nc(N)n3nc(-c4ccco4)nc3n2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
The InChIKey is SXWZHPLBJVWNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O2/c1-22-10-6-4-9(5-7-10)12-17-14(16)21-15(18-12)19-13(20-21)11-3-2-8-23-11/h2-8H,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine?
2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine has a molecular weight of 308.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-7-amine is sourced from PubChem (CID 19097279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).