8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C6H9FN4 — CID 67231507

IUPAC8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFCC1NCCn2cnnc21
InChIInChI=1S/C6H9FN4/c7-3-5-6-10-9-4-11(6)2-1-8-5/h4-5,8H,1-3H2
InChIKeyWHMMKOTVPRWVFP-UHFFFAOYSA-N
MW156.16 g/mol
LogP-0.11
Rot. Bonds1

About 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 67231507) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID67231507
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFCC1NCCn2cnnc21
InChIInChI=1S/C6H9FN4/c7-3-5-6-10-9-4-11(6)2-1-8-5/h4-5,8H,1-3H2
InChIKeyWHMMKOTVPRWVFP-UHFFFAOYSA-N
XLogP-0.11
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 67231507) is 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is FCC1NCCn2cnnc21.
What is the InChIKey of 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WHMMKOTVPRWVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c7-3-5-6-10-9-4-11(6)2-1-8-5/h4-5,8H,1-3H2.
What are the key properties of 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 156.16 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(fluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 67231507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).