5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine

C18H21N5 — CID 166288107

IUPAC5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESc1nc2cncc(-c3ccc(CCN4CCCCC4)cc3)n2n1
InChIInChI=1S/C18H21N5/c1-2-9-22(10-3-1)11-8-15-4-6-16(7-5-15)17-12-19-13-18-20-14-21-23(17)18/h4-7,12-14H,1-3,8-11H2
InChIKeyWWIZOPRZQZLKME-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.82
Rot. Bonds4

About 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine

5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 166288107) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID166288107
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESc1nc2cncc(-c3ccc(CCN4CCCCC4)cc3)n2n1
InChIInChI=1S/C18H21N5/c1-2-9-22(10-3-1)11-8-15-4-6-16(7-5-15)17-12-19-13-18-20-14-21-23(17)18/h4-7,12-14H,1-3,8-11H2
InChIKeyWWIZOPRZQZLKME-UHFFFAOYSA-N
XLogP2.82
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine (CID 166288107) is 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine is c1nc2cncc(-c3ccc(CCN4CCCCC4)cc3)n2n1.
What is the InChIKey of 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is WWIZOPRZQZLKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-9-22(10-3-1)11-8-15-4-6-16(7-5-15)17-12-19-13-18-20-14-21-23(17)18/h4-7,12-14H,1-3,8-11H2.
What are the key properties of 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine?
5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 307.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-piperidin-1-ylethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 166288107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).