3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C12H9F2N5 — CID 10400417

IUPAC3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3cc(F)ccc3F)nnc12
InChIInChI=1S/C12H9F2N5/c13-8-1-2-9(14)7(5-8)6-10-17-18-12-11(15)16-3-4-19(10)12/h1-5H,6H2,(H2,15,16)
InChIKeyLLRFDYBCPKMPSX-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.58
Rot. Bonds2

About 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 10400417) has the molecular formula C12H9F2N5 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID10400417
Molecular FormulaC12H9F2N5
Molecular Weight261.24 g/mol
Exact Mass261.08
IUPAC Name3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESNc1nccn2c(Cc3cc(F)ccc3F)nnc12
InChIInChI=1S/C12H9F2N5/c13-8-1-2-9(14)7(5-8)6-10-17-18-12-11(15)16-3-4-19(10)12/h1-5H,6H2,(H2,15,16)
InChIKeyLLRFDYBCPKMPSX-UHFFFAOYSA-N
XLogP1.58
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 10400417) is 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is Nc1nccn2c(Cc3cc(F)ccc3F)nnc12.
What is the InChIKey of 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is LLRFDYBCPKMPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5/c13-8-1-2-9(14)7(5-8)6-10-17-18-12-11(15)16-3-4-19(10)12/h1-5H,6H2,(H2,15,16).
What are the key properties of 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 261.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-difluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 10400417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).