3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H11F2N5 — CID 10107438

IUPAC3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3c(F)cccc3F)nnc12
InChIInChI=1S/C13H11F2N5/c1-16-12-13-19-18-11(20(13)6-5-17-12)7-8-9(14)3-2-4-10(8)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLOTICMGLUKVFAN-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.04
Rot. Bonds3

About 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 10107438) has the molecular formula C13H11F2N5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID10107438
Molecular FormulaC13H11F2N5
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Name3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCNc1nccn2c(Cc3c(F)cccc3F)nnc12
InChIInChI=1S/C13H11F2N5/c1-16-12-13-19-18-11(20(13)6-5-17-12)7-8-9(14)3-2-4-10(8)15/h2-6H,7H2,1H3,(H,16,17)
InChIKeyLOTICMGLUKVFAN-UHFFFAOYSA-N
XLogP2.04
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 10107438) is 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CNc1nccn2c(Cc3c(F)cccc3F)nnc12.
What is the InChIKey of 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is LOTICMGLUKVFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N5/c1-16-12-13-19-18-11(20(13)6-5-17-12)7-8-9(14)3-2-4-10(8)15/h2-6H,7H2,1H3,(H,16,17).
What are the key properties of 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 275.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)methyl]-N-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 10107438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).