2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine

C17H24N6O — CID 133485880

IUPAC2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
SMILESc1n[nH]c(C2CCN(c3cncc(OCC4CCCC4)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-2-4-13(3-1)11-24-16-10-18-9-15(21-16)23-7-5-14(6-8-23)17-19-12-20-22-17/h9-10,12-14H,1-8,11H2,(H,19,20,22)
InChIKeyGQFJYPSHNNLFKL-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.55
Rot. Bonds5

About 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine

2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine (PubChem CID 133485880) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
PubChem CID133485880
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine
SMILESc1n[nH]c(C2CCN(c3cncc(OCC4CCCC4)n3)CC2)n1
InChIInChI=1S/C17H24N6O/c1-2-4-13(3-1)11-24-16-10-18-9-15(21-16)23-7-5-14(6-8-23)17-19-12-20-22-17/h9-10,12-14H,1-8,11H2,(H,19,20,22)
InChIKeyGQFJYPSHNNLFKL-UHFFFAOYSA-N
XLogP2.55
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine (CID 133485880) is 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine is c1n[nH]c(C2CCN(c3cncc(OCC4CCCC4)n3)CC2)n1.
What is the InChIKey of 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
The InChIKey is GQFJYPSHNNLFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-4-13(3-1)11-24-16-10-18-9-15(21-16)23-7-5-14(6-8-23)17-19-12-20-22-17/h9-10,12-14H,1-8,11H2,(H,19,20,22).
What are the key properties of 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine?
2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine has a molecular weight of 328.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-6-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 133485880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).