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

C19H13F2N5 — CID 135234352

IUPAC5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3F)cc12
InChIInChI=1S/C19H13F2N5/c1-10-6-7-23-16-5-2-11(8-14(10)16)17-18(24-19(22)26-25-17)13-4-3-12(20)9-15(13)21/h2-9H,1H3,(H2,22,24,26)
InChIKeyMTBZKDYVIJZEFK-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.92
Rot. Bonds2

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

5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine (PubChem CID 135234352) has the molecular formula C19H13F2N5 and a molecular weight of 349.34 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine
PubChem CID135234352
Molecular FormulaC19H13F2N5
Molecular Weight349.34 g/mol
Exact Mass349.11
IUPAC Name5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine
SMILESCc1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3F)cc12
InChIInChI=1S/C19H13F2N5/c1-10-6-7-23-16-5-2-11(8-14(10)16)17-18(24-19(22)26-25-17)13-4-3-12(20)9-15(13)21/h2-9H,1H3,(H2,22,24,26)
InChIKeyMTBZKDYVIJZEFK-UHFFFAOYSA-N
XLogP3.92
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine (CID 135234352) is 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine is Cc1ccnc2ccc(-c3nnc(N)nc3-c3ccc(F)cc3F)cc12.
What is the InChIKey of 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
The InChIKey is MTBZKDYVIJZEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5/c1-10-6-7-23-16-5-2-11(8-14(10)16)17-18(24-19(22)26-25-17)13-4-3-12(20)9-15(13)21/h2-9H,1H3,(H2,22,24,26).
What are the key properties of 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine?
5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine has a molecular weight of 349.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-6-(4-methylquinolin-6-yl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 135234352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).