6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

C19H15N5O — CID 135234314

IUPAC6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1ccnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12
InChIInChI=1S/C19H15N5O/c1-25-16-9-10-21-15-8-7-13(11-14(15)16)18-17(22-19(20)24-23-18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,24)
InChIKeyOBRJNTJMAATSMO-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.34
Rot. Bonds3

About 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine

6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (PubChem CID 135234314) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
PubChem CID135234314
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine
SMILESCOc1ccnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12
InChIInChI=1S/C19H15N5O/c1-25-16-9-10-21-15-8-7-13(11-14(15)16)18-17(22-19(20)24-23-18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,24)
InChIKeyOBRJNTJMAATSMO-UHFFFAOYSA-N
XLogP3.34
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine (CID 135234314) is 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is COc1ccnc2ccc(-c3nnc(N)nc3-c3ccccc3)cc12.
What is the InChIKey of 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
The InChIKey is OBRJNTJMAATSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c1-25-16-9-10-21-15-8-7-13(11-14(15)16)18-17(22-19(20)24-23-18)12-5-3-2-4-6-12/h2-11H,1H3,(H2,20,22,24).
What are the key properties of 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine?
6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine has a molecular weight of 329.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyquinolin-6-yl)-5-phenyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).