N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline

C13H16FN5 — CID 64579858

IUPACN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCN2CCn3cnnc3C2)cc1
InChIInChI=1S/C13H16FN5/c14-11-1-3-12(4-2-11)15-5-6-18-7-8-19-10-16-17-13(19)9-18/h1-4,10,15H,5-9H2
InChIKeyNGICZLYNWQXWSP-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.34
Rot. Bonds4

About N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline

N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline (PubChem CID 64579858) has the molecular formula C13H16FN5 and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline
PubChem CID64579858
Molecular FormulaC13H16FN5
Molecular Weight261.30 g/mol
Exact Mass261.14
IUPAC NameN-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline
SMILESFc1ccc(NCCN2CCn3cnnc3C2)cc1
InChIInChI=1S/C13H16FN5/c14-11-1-3-12(4-2-11)15-5-6-18-7-8-19-10-16-17-13(19)9-18/h1-4,10,15H,5-9H2
InChIKeyNGICZLYNWQXWSP-UHFFFAOYSA-N
XLogP1.34
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline?
The IUPAC name of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline (CID 64579858) is N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline.
What is the SMILES notation for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline?
The canonical SMILES for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline is Fc1ccc(NCCN2CCn3cnnc3C2)cc1.
What is the InChIKey of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline?
The InChIKey is NGICZLYNWQXWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5/c14-11-1-3-12(4-2-11)15-5-6-18-7-8-19-10-16-17-13(19)9-18/h1-4,10,15H,5-9H2.
What are the key properties of N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline?
N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline has a molecular weight of 261.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 64579858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).