7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C8H13FN4 — CID 130841135

IUPAC7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFCCCN1CCn2cnnc2C1
InChIInChI=1S/C8H13FN4/c9-2-1-3-12-4-5-13-7-10-11-8(13)6-12/h7H,1-6H2
InChIKeyFXUZLDVQBGFKFN-UHFFFAOYSA-N
MW184.22 g/mol
LogP0.45
Rot. Bonds3

About 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 130841135) has the molecular formula C8H13FN4 and a molecular weight of 184.22 g/mol. Its IUPAC name is 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID130841135
Molecular FormulaC8H13FN4
Molecular Weight184.22 g/mol
Exact Mass184.11
IUPAC Name7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFCCCN1CCn2cnnc2C1
InChIInChI=1S/C8H13FN4/c9-2-1-3-12-4-5-13-7-10-11-8(13)6-12/h7H,1-6H2
InChIKeyFXUZLDVQBGFKFN-UHFFFAOYSA-N
XLogP0.45
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 130841135) is 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is FCCCN1CCn2cnnc2C1.
What is the InChIKey of 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FXUZLDVQBGFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN4/c9-2-1-3-12-4-5-13-7-10-11-8(13)6-12/h7H,1-6H2.
What are the key properties of 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 184.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoropropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 130841135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).