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

C18H15N5O — CID 135234260

IUPAC5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2nc(N)nnc2-c2cc(C)c3ncccc3c2)o1
InChIInChI=1S/C18H15N5O/c1-10-8-13(9-12-4-3-7-20-15(10)12)16-17(21-18(19)23-22-16)14-6-5-11(2)24-14/h3-9H,1-2H3,(H2,19,21,23)
InChIKeyOYBCTINSGMQTBO-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.55
Rot. Bonds2

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

5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine (PubChem CID 135234260) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
PubChem CID135234260
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1ccc(-c2nc(N)nnc2-c2cc(C)c3ncccc3c2)o1
InChIInChI=1S/C18H15N5O/c1-10-8-13(9-12-4-3-7-20-15(10)12)16-17(21-18(19)23-22-16)14-6-5-11(2)24-14/h3-9H,1-2H3,(H2,19,21,23)
InChIKeyOYBCTINSGMQTBO-UHFFFAOYSA-N
XLogP3.55
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine (CID 135234260) is 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine is Cc1ccc(-c2nc(N)nnc2-c2cc(C)c3ncccc3c2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The InChIKey is OYBCTINSGMQTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-10-8-13(9-12-4-3-7-20-15(10)12)16-17(21-18(19)23-22-16)14-6-5-11(2)24-14/h3-9H,1-2H3,(H2,19,21,23).
What are the key properties of 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine has a molecular weight of 317.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-6-(8-methylquinolin-6-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).