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

C17H16FN5 — CID 26395865

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCc1ccc(CNc2nncc(-c3ccccc3F)n2)nc1
InChIInChI=1S/C17H16FN5/c1-2-12-7-8-13(19-9-12)10-20-17-22-16(11-21-23-17)14-5-3-4-6-15(14)18/h3-9,11H,2,10H2,1H3,(H,20,22,23)
InChIKeyBKDIVCBKHZDWCS-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.25
Rot. Bonds5

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

N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (PubChem CID 26395865) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
PubChem CID26395865
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine
SMILESCCc1ccc(CNc2nncc(-c3ccccc3F)n2)nc1
InChIInChI=1S/C17H16FN5/c1-2-12-7-8-13(19-9-12)10-20-17-22-16(11-21-23-17)14-5-3-4-6-15(14)18/h3-9,11H,2,10H2,1H3,(H,20,22,23)
InChIKeyBKDIVCBKHZDWCS-UHFFFAOYSA-N
XLogP3.25
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine (CID 26395865) is N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is CCc1ccc(CNc2nncc(-c3ccccc3F)n2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
The InChIKey is BKDIVCBKHZDWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c1-2-12-7-8-13(19-9-12)10-20-17-22-16(11-21-23-17)14-5-3-4-6-15(14)18/h3-9,11H,2,10H2,1H3,(H,20,22,23).
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine?
N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine has a molecular weight of 309.35 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-5-(2-fluorophenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 26395865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).