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

C11H14ClN5 — CID 114682577

IUPAC8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CN(c2nccn3cnnc23)CCC1Cl
InChIInChI=1S/C11H14ClN5/c1-8-6-16(4-2-9(8)12)10-11-15-14-7-17(11)5-3-13-10/h3,5,7-9H,2,4,6H2,1H3
InChIKeyWYTGVTYYMQPTNY-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.58
Rot. Bonds1

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

8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 114682577) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID114682577
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC1CN(c2nccn3cnnc23)CCC1Cl
InChIInChI=1S/C11H14ClN5/c1-8-6-16(4-2-9(8)12)10-11-15-14-7-17(11)5-3-13-10/h3,5,7-9H,2,4,6H2,1H3
InChIKeyWYTGVTYYMQPTNY-UHFFFAOYSA-N
XLogP1.58
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.58
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-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 114682577) is 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is CC1CN(c2nccn3cnnc23)CCC1Cl.
What is the InChIKey of 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is WYTGVTYYMQPTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-8-6-16(4-2-9(8)12)10-11-15-14-7-17(11)5-3-13-10/h3,5,7-9H,2,4,6H2,1H3.
What are the key properties of 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 251.72 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-3-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 114682577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).