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

C13H12FN5 — CID 10332680

IUPAC3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3ccccc3F)nnc12
InChIInChI=1S/C13H12FN5/c1-15-12-13-18-17-11(19(13)7-6-16-12)8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyOTJPGTLCPDTULX-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.90
Rot. Bonds3

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

3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 10332680) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID10332680
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3ccccc3F)nnc12
InChIInChI=1S/C13H12FN5/c1-15-12-13-18-17-11(19(13)7-6-16-12)8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3,(H,15,16)
InChIKeyOTJPGTLCPDTULX-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-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 10332680) is 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CNc1nccn2c(Cc3ccccc3F)nnc12.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is OTJPGTLCPDTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-15-12-13-18-17-11(19(13)7-6-16-12)8-9-4-2-3-5-10(9)14/h2-7H,8H2,1H3,(H,15,16).
What are the key properties of 3-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(2-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-[(2-fluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 10332680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).