6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

C11H7ClFN5 — CID 71735544

IUPAC6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESFc1ccc(Nc2nc3cnc(Cl)cn3n2)cc1
InChIInChI=1S/C11H7ClFN5/c12-9-6-18-10(5-14-9)16-11(17-18)15-8-3-1-7(13)2-4-8/h1-6H,(H,15,17)
InChIKeyKQQIZGMEUQRIEP-UHFFFAOYSA-N
MW263.66 g/mol
LogP2.66
Rot. Bonds2

About 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine

6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (PubChem CID 71735544) has the molecular formula C11H7ClFN5 and a molecular weight of 263.66 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
PubChem CID71735544
Molecular FormulaC11H7ClFN5
Molecular Weight263.66 g/mol
Exact Mass263.04
IUPAC Name6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine
SMILESFc1ccc(Nc2nc3cnc(Cl)cn3n2)cc1
InChIInChI=1S/C11H7ClFN5/c12-9-6-18-10(5-14-9)16-11(17-18)15-8-3-1-7(13)2-4-8/h1-6H,(H,15,17)
InChIKeyKQQIZGMEUQRIEP-UHFFFAOYSA-N
XLogP2.66
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.66
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine (CID 71735544) is 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is Fc1ccc(Nc2nc3cnc(Cl)cn3n2)cc1.
What is the InChIKey of 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
The InChIKey is KQQIZGMEUQRIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN5/c12-9-6-18-10(5-14-9)16-11(17-18)15-8-3-1-7(13)2-4-8/h1-6H,(H,15,17).
What are the key properties of 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine?
6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine has a molecular weight of 263.66 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrazin-2-amine is sourced from PubChem (CID 71735544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).