2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine

C16H24N6O — CID 136572944

IUPAC2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine
SMILESCCn1c(-c2cnccn2)nnc1N1CCC(C)(COC)CC1
InChIInChI=1S/C16H24N6O/c1-4-22-14(13-11-17-7-8-18-13)19-20-15(22)21-9-5-16(2,6-10-21)12-23-3/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyWYLGVQVDEKVJFC-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.01
Rot. Bonds5

About 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine

2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine (PubChem CID 136572944) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine
PubChem CID136572944
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine
SMILESCCn1c(-c2cnccn2)nnc1N1CCC(C)(COC)CC1
InChIInChI=1S/C16H24N6O/c1-4-22-14(13-11-17-7-8-18-13)19-20-15(22)21-9-5-16(2,6-10-21)12-23-3/h7-8,11H,4-6,9-10,12H2,1-3H3
InChIKeyWYLGVQVDEKVJFC-UHFFFAOYSA-N
XLogP2.01
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine (CID 136572944) is 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine is CCn1c(-c2cnccn2)nnc1N1CCC(C)(COC)CC1.
What is the InChIKey of 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is WYLGVQVDEKVJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-4-22-14(13-11-17-7-8-18-13)19-20-15(22)21-9-5-16(2,6-10-21)12-23-3/h7-8,11H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine?
2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 316.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethyl-5-[4-(methoxymethyl)-4-methylpiperidin-1-yl]-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 136572944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).