2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine

C15H21N7 — CID 53192263

IUPAC2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnc(-c2n[nH]c(C3CCN(C4CCNC4)CC3)n2)cn1
InChIInChI=1S/C15H21N7/c1-4-16-9-12(1)22-7-2-11(3-8-22)14-19-15(21-20-14)13-10-17-5-6-18-13/h5-6,10-12,16H,1-4,7-9H2,(H,19,20,21)
InChIKeyGGJQOWLYUWRELR-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.80
Rot. Bonds3

About 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine

2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine (PubChem CID 53192263) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine
PubChem CID53192263
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine
SMILESc1cnc(-c2n[nH]c(C3CCN(C4CCNC4)CC3)n2)cn1
InChIInChI=1S/C15H21N7/c1-4-16-9-12(1)22-7-2-11(3-8-22)14-19-15(21-20-14)13-10-17-5-6-18-13/h5-6,10-12,16H,1-4,7-9H2,(H,19,20,21)
InChIKeyGGJQOWLYUWRELR-UHFFFAOYSA-N
XLogP0.80
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine (CID 53192263) is 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine is c1cnc(-c2n[nH]c(C3CCN(C4CCNC4)CC3)n2)cn1.
What is the InChIKey of 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is GGJQOWLYUWRELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-4-16-9-12(1)22-7-2-11(3-8-22)14-19-15(21-20-14)13-10-17-5-6-18-13/h5-6,10-12,16H,1-4,7-9H2,(H,19,20,21).
What are the key properties of 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine?
2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 299.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-pyrrolidin-3-ylpiperidin-4-yl)-1H-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 53192263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).