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

C11H19BrN4 — CID 65013050

IUPAC7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC(CBr)CN1CCn2cnnc2C1
InChIInChI=1S/C11H19BrN4/c1-2-3-10(6-12)7-15-4-5-16-9-13-14-11(16)8-15/h9-10H,2-8H2,1H3
InChIKeyQXTZOZXOZYZBQC-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.90
Rot. Bonds5

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

7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 65013050) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID65013050
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC Name7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCCC(CBr)CN1CCn2cnnc2C1
InChIInChI=1S/C11H19BrN4/c1-2-3-10(6-12)7-15-4-5-16-9-13-14-11(16)8-15/h9-10H,2-8H2,1H3
InChIKeyQXTZOZXOZYZBQC-UHFFFAOYSA-N
XLogP1.90
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 65013050) is 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCCC(CBr)CN1CCn2cnnc2C1.
What is the InChIKey of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is QXTZOZXOZYZBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-2-3-10(6-12)7-15-4-5-16-9-13-14-11(16)8-15/h9-10H,2-8H2,1H3.
What are the key properties of 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 287.20 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(bromomethyl)pentyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 65013050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).