2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine

C11H14N6 — CID 53192492

IUPAC2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESc1cnc(-c2n[nH]c(C3CCNCC3)n2)cn1
InChIInChI=1S/C11H14N6/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9/h5-8,12H,1-4H2,(H,15,16,17)
InChIKeyRYPDFCNGDYJIKS-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.73
Rot. Bonds2

About 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine

2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine (PubChem CID 53192492) has the molecular formula C11H14N6 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine.

Molecular Properties

Compound Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine
PubChem CID53192492
Molecular FormulaC11H14N6
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine
SMILESc1cnc(-c2n[nH]c(C3CCNCC3)n2)cn1
InChIInChI=1S/C11H14N6/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9/h5-8,12H,1-4H2,(H,15,16,17)
InChIKeyRYPDFCNGDYJIKS-UHFFFAOYSA-N
XLogP0.73
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The IUPAC name of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine (CID 53192492) is 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine.
What is the SMILES notation for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The canonical SMILES for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine is c1cnc(-c2n[nH]c(C3CCNCC3)n2)cn1.
What is the InChIKey of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine?
The InChIKey is RYPDFCNGDYJIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-3-12-4-2-8(1)10-15-11(17-16-10)9-7-13-5-6-14-9/h5-8,12H,1-4H2,(H,15,16,17).
What are the key properties of 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine?
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine has a molecular weight of 230.27 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyrazine is sourced from PubChem (CID 53192492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).