4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile

C11H15N5O — CID 729558

IUPAC4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESCCOc1nc(C#N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15N5O/c1-2-17-11-14-9(8-12)13-10(15-11)16-6-4-3-5-7-16/h2-7H2,1H3
InChIKeyNDVFBWWXDABNKV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.13
Rot. Bonds3

About 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile

4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 729558) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
PubChem CID729558
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
SMILESCCOc1nc(C#N)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15N5O/c1-2-17-11-14-9(8-12)13-10(15-11)16-6-4-3-5-7-16/h2-7H2,1H3
InChIKeyNDVFBWWXDABNKV-UHFFFAOYSA-N
XLogP1.13
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile (CID 729558) is 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile is CCOc1nc(C#N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is NDVFBWWXDABNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-2-17-11-14-9(8-12)13-10(15-11)16-6-4-3-5-7-16/h2-7H2,1H3.
What are the key properties of 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile?
4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 233.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 729558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).