N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine

C18H17FN4O — CID 42095373

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(-c2cnnc(NCCc3ccccc3F)n2)c1
InChIInChI=1S/C18H17FN4O/c1-24-15-7-4-6-14(11-15)17-12-21-23-18(22-17)20-10-9-13-5-2-3-8-16(13)19/h2-8,11-12H,9-10H2,1H3,(H,20,22,23)
InChIKeyQAVIHVVMRYCEJI-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.34
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine

N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 42095373) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID42095373
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(-c2cnnc(NCCc3ccccc3F)n2)c1
InChIInChI=1S/C18H17FN4O/c1-24-15-7-4-6-14(11-15)17-12-21-23-18(22-17)20-10-9-13-5-2-3-8-16(13)19/h2-8,11-12H,9-10H2,1H3,(H,20,22,23)
InChIKeyQAVIHVVMRYCEJI-UHFFFAOYSA-N
XLogP3.34
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine (CID 42095373) is N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine is COc1cccc(-c2cnnc(NCCc3ccccc3F)n2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is QAVIHVVMRYCEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-24-15-7-4-6-14(11-15)17-12-21-23-18(22-17)20-10-9-13-5-2-3-8-16(13)19/h2-8,11-12H,9-10H2,1H3,(H,20,22,23).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine?
N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 324.36 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42095373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).