2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

C14H20N6O — CID 110256935

IUPAC2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCOCCn1cnnc1C1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H20N6O/c1-21-8-7-20-11-17-18-14(20)12-3-2-6-19(10-12)13-9-15-4-5-16-13/h4-5,9,11-12H,2-3,6-8,10H2,1H3
InChIKeyMWLZCCNJMNTRPG-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.10
Rot. Bonds5

About 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine

2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (PubChem CID 110256935) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
PubChem CID110256935
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine
SMILESCOCCn1cnnc1C1CCCN(c2cnccn2)C1
InChIInChI=1S/C14H20N6O/c1-21-8-7-20-11-17-18-14(20)12-3-2-6-19(10-12)13-9-15-4-5-16-13/h4-5,9,11-12H,2-3,6-8,10H2,1H3
InChIKeyMWLZCCNJMNTRPG-UHFFFAOYSA-N
XLogP1.10
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The IUPAC name of 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine (CID 110256935) is 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is COCCn1cnnc1C1CCCN(c2cnccn2)C1.
What is the InChIKey of 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
The InChIKey is MWLZCCNJMNTRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-21-8-7-20-11-17-18-14(20)12-3-2-6-19(10-12)13-9-15-4-5-16-13/h4-5,9,11-12H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine?
2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine has a molecular weight of 288.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrazine is sourced from PubChem (CID 110256935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).