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

C13H12FN5 — CID 10244181

IUPAC3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3cccc(F)c3)nnc12
InChIInChI=1S/C13H12FN5/c1-15-12-13-18-17-11(19(13)6-5-16-12)8-9-3-2-4-10(14)7-9/h2-7H,8H2,1H3,(H,15,16)
InChIKeyLKAPFEBOEHAJME-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.90
Rot. Bonds3

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

3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 10244181) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID10244181
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3cccc(F)c3)nnc12
InChIInChI=1S/C13H12FN5/c1-15-12-13-18-17-11(19(13)6-5-16-12)8-9-3-2-4-10(14)7-9/h2-7H,8H2,1H3,(H,15,16)
InChIKeyLKAPFEBOEHAJME-UHFFFAOYSA-N
XLogP1.90
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 10244181) is 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CNc1nccn2c(Cc3cccc(F)c3)nnc12.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is LKAPFEBOEHAJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-15-12-13-18-17-11(19(13)6-5-16-12)8-9-3-2-4-10(14)7-9/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 257.27 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 10244181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).