3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine

C8H9FN6 — CID 164648201

IUPAC3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
SMILESCn1ncnc1CNc1nccnc1F
InChIInChI=1S/C8H9FN6/c1-15-6(13-5-14-15)4-12-8-7(9)10-2-3-11-8/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyVSHJZLZCWRORRU-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.36
Rot. Bonds3

About 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine

3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine (PubChem CID 164648201) has the molecular formula C8H9FN6 and a molecular weight of 208.20 g/mol. Its IUPAC name is 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
PubChem CID164648201
Molecular FormulaC8H9FN6
Molecular Weight208.20 g/mol
Exact Mass208.09
IUPAC Name3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
SMILESCn1ncnc1CNc1nccnc1F
InChIInChI=1S/C8H9FN6/c1-15-6(13-5-14-15)4-12-8-7(9)10-2-3-11-8/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyVSHJZLZCWRORRU-UHFFFAOYSA-N
XLogP0.36
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine (CID 164648201) is 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine is Cn1ncnc1CNc1nccnc1F.
What is the InChIKey of 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The InChIKey is VSHJZLZCWRORRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN6/c1-15-6(13-5-14-15)4-12-8-7(9)10-2-3-11-8/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine has a molecular weight of 208.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 164648201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).