2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile

C12H17N5O2 — CID 3901394

IUPAC2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESCCOc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H17N5O2/c1-2-18-11-14-10(17-7-4-3-5-8-17)15-12(16-11)19-9-6-13/h2-5,7-9H2,1H3
InChIKeyFWGRRRHRYCBHJN-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.16
Rot. Bonds5

About 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile

2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 3901394) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID3901394
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESCCOc1nc(OCC#N)nc(N2CCCCC2)n1
InChIInChI=1S/C12H17N5O2/c1-2-18-11-14-10(17-7-4-3-5-8-17)15-12(16-11)19-9-6-13/h2-5,7-9H2,1H3
InChIKeyFWGRRRHRYCBHJN-UHFFFAOYSA-N
XLogP1.16
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 3901394) is 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is CCOc1nc(OCC#N)nc(N2CCCCC2)n1.
What is the InChIKey of 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is FWGRRRHRYCBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-18-11-14-10(17-7-4-3-5-8-17)15-12(16-11)19-9-6-13/h2-5,7-9H2,1H3.
What are the key properties of 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 263.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 3901394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).