3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile

C13H22N6O2 — CID 80814007

IUPAC3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile
SMILESCCNc1nc(OCC)nc(N(CCC#N)CCOC)n1
InChIInChI=1S/C13H22N6O2/c1-4-15-11-16-12(18-13(17-11)21-5-2)19(8-6-7-14)9-10-20-3/h4-6,8-10H2,1-3H3,(H,15,16,17,18)
InChIKeyVRGFQGIGILRAOT-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.07
Rot. Bonds10

About 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile (PubChem CID 80814007) has the molecular formula C13H22N6O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile
PubChem CID80814007
Molecular FormulaC13H22N6O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile
SMILESCCNc1nc(OCC)nc(N(CCC#N)CCOC)n1
InChIInChI=1S/C13H22N6O2/c1-4-15-11-16-12(18-13(17-11)21-5-2)19(8-6-7-14)9-10-20-3/h4-6,8-10H2,1-3H3,(H,15,16,17,18)
InChIKeyVRGFQGIGILRAOT-UHFFFAOYSA-N
XLogP1.07
TPSA96.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile 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

6-ethoxy-4-N-ethyl-2-N,2-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80780544
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
CID 80829691
6-ethoxy-2-N,2-N-bis(2-methoxyethyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80795238
6-ethoxy-4-N-ethyl-2-N-(3-methoxypropyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80823798
2-[butyl-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 80809793
3-[2-methoxyethyl(pyrimidin-2-yl)amino]propanenitrile
CID 63286973
2-[cyanomethyl-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetonitrile
CID 80753645
6-ethoxy-2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795623
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-propylamino]-N-methylacetamide
CID 80785634
2-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-ethylamino]acetamide
CID 103104298

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile (CID 80814007) is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile is CCNc1nc(OCC)nc(N(CCC#N)CCOC)n1.
What is the InChIKey of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is VRGFQGIGILRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6O2/c1-4-15-11-16-12(18-13(17-11)21-5-2)19(8-6-7-14)9-10-20-3/h4-6,8-10H2,1-3H3,(H,15,16,17,18).
What are the key properties of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile?
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 294.36 g/mol, XLogP of 1.07, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 80814007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).