2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine

C15H20N6 — CID 30853645

IUPAC2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine
SMILESc1cnc(N2CCC(Cn3cc(C4CC4)nn3)CC2)cn1
InChIInChI=1S/C15H20N6/c1-2-13(1)14-11-21(19-18-14)10-12-3-7-20(8-4-12)15-9-16-5-6-17-15/h5-6,9,11-13H,1-4,7-8,10H2
InChIKeyDDYXPMLLHRNZOG-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.86
Rot. Bonds4

About 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine

2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine (PubChem CID 30853645) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine
PubChem CID30853645
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine
SMILESc1cnc(N2CCC(Cn3cc(C4CC4)nn3)CC2)cn1
InChIInChI=1S/C15H20N6/c1-2-13(1)14-11-21(19-18-14)10-12-3-7-20(8-4-12)15-9-16-5-6-17-15/h5-6,9,11-13H,1-4,7-8,10H2
InChIKeyDDYXPMLLHRNZOG-UHFFFAOYSA-N
XLogP1.86
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine (CID 30853645) is 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine is c1cnc(N2CCC(Cn3cc(C4CC4)nn3)CC2)cn1.
What is the InChIKey of 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine?
The InChIKey is DDYXPMLLHRNZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-13(1)14-11-21(19-18-14)10-12-3-7-20(8-4-12)15-9-16-5-6-17-15/h5-6,9,11-13H,1-4,7-8,10H2.
What are the key properties of 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine?
2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine has a molecular weight of 284.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 30853645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).