8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

C10H12BrN5 — CID 80673667

IUPAC8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrC1CCN(c2nccn3cnnc23)CC1
InChIInChI=1S/C10H12BrN5/c11-8-1-4-15(5-2-8)9-10-14-13-7-16(10)6-3-12-9/h3,6-8H,1-2,4-5H2
InChIKeyKVOYVCFKMTXTNK-UHFFFAOYSA-N
MW282.14 g/mol
LogP1.49
Rot. Bonds1

About 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine

8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 80673667) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID80673667
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESBrC1CCN(c2nccn3cnnc23)CC1
InChIInChI=1S/C10H12BrN5/c11-8-1-4-15(5-2-8)9-10-14-13-7-16(10)6-3-12-9/h3,6-8H,1-2,4-5H2
InChIKeyKVOYVCFKMTXTNK-UHFFFAOYSA-N
XLogP1.49
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 80673667) is 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is BrC1CCN(c2nccn3cnnc23)CC1.
What is the InChIKey of 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KVOYVCFKMTXTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-8-1-4-15(5-2-8)9-10-14-13-7-16(10)6-3-12-9/h3,6-8H,1-2,4-5H2.
What are the key properties of 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 282.14 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromopiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 80673667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).