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

C13H18N6O — CID 4020907

IUPAC2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H18N6O/c14-5-10-20-13-16-11(18-6-1-2-7-18)15-12(17-13)19-8-3-4-9-19/h1-4,6-10H2
InChIKeyHEJCUOFEZLZVFM-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.97
Rot. Bonds4

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

2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (PubChem CID 4020907) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
PubChem CID4020907
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile
SMILESN#CCOc1nc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C13H18N6O/c14-5-10-20-13-16-11(18-6-1-2-7-18)15-12(17-13)19-8-3-4-9-19/h1-4,6-10H2
InChIKeyHEJCUOFEZLZVFM-UHFFFAOYSA-N
XLogP0.97
TPSA78.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxy-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
CID 4544332
2-Methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
CID 162403950
{[4-Methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 4020908
4-(4,6-Dipyrrolidin-1-yl-1,3,5-triazin-2-yl)morpholine
CID 7589354
4-Propoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23009039
2-Butoxy-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 55124334
2-Chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62857036
2-Chloro-4-propoxy-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62869102
2-Chloro-4-pyrrolidin-1-yl-6-(2-pyrrolidin-1-ylethoxy)-1,3,5-triazine
CID 62869646
3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870688
2-Chloro-4-propoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine
CID 63170808
2-Chloro-4-ethoxy-6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3,5-triazine
CID 63170853

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The IUPAC name of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile (CID 4020907) is 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is N#CCOc1nc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
The InChIKey is HEJCUOFEZLZVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c14-5-10-20-13-16-11(18-6-1-2-7-18)15-12(17-13)19-8-3-4-9-19/h1-4,6-10H2.
What are the key properties of 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile?
2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile has a molecular weight of 274.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]acetonitrile is sourced from PubChem (CID 4020907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).