5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine

C17H13N5O — CID 135234233

IUPAC5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12
InChIInChI=1S/C17H13N5O/c1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h2-9H,1H3,(H2,18,20,22)
InChIKeyULOLQZGGLLMKQZ-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.24
Rot. Bonds2

About 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine

5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine (PubChem CID 135234233) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
PubChem CID135234233
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12
InChIInChI=1S/C17H13N5O/c1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h2-9H,1H3,(H2,18,20,22)
InChIKeyULOLQZGGLLMKQZ-UHFFFAOYSA-N
XLogP3.24
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine (CID 135234233) is 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine is Cc1cc(-c2nnc(N)nc2-c2ccco2)cc2cccnc12.
What is the InChIKey of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The InChIKey is ULOLQZGGLLMKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-10-8-12(9-11-4-2-6-19-14(10)11)15-16(13-5-3-7-23-13)20-17(18)22-21-15/h2-9H,1H3,(H2,18,20,22).
What are the key properties of 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine has a molecular weight of 303.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).