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

C10H13N5O2 — CID 729542

IUPAC4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESCCOc1nc(C#N)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13N5O2/c1-2-17-10-13-8(7-11)12-9(14-10)15-3-5-16-6-4-15/h2-6H2,1H3
InChIKeyHRQYWOOZOXTWOR-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.02
Rot. Bonds3

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

4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (PubChem CID 729542) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.

Molecular Properties

Compound Name4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
PubChem CID729542
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
SMILESCCOc1nc(C#N)nc(N2CCOCC2)n1
InChIInChI=1S/C10H13N5O2/c1-2-17-10-13-8(7-11)12-9(14-10)15-3-5-16-6-4-15/h2-6H2,1H3
InChIKeyHRQYWOOZOXTWOR-UHFFFAOYSA-N
XLogP-0.02
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4,6-Dimorpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 755373
4-Ethoxy-6-piperidin-1-yl-1,3,5-triazine-2-carbonitrile
CID 729558
4-(Diethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 1521564
1,3,5-Triazin-2-amine, 4-methoxy-6-(4-morpholinylmethyl)-
CID 199954
s-Triazine, 2,4-dimorpholino-6-methyl-
CID 33387
6-(Ethylamino)-4-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 672046
4-Dimethylamino-6-morpholin-4-yl-[1,3,5]triazine-2-carbonitrile
CID 1088873
1,3,5-Triazine, 2-ethyl-4-methoxy-6-(4-morpholinyl)-
CID 199903
1,3,5-Triazine, 2-methyl-4-(4-morpholinyl)-6-(trifluoromethyl)-
CID 3041949
Acetonitrile, ((4-chloro-6-(4-morpholinyl)-1,3,5-triazin-2-yl)oxy)-
CID 3071536
Acetonitrile, 2,2'-((6-(4-morpholinyl)-1,3,5-triazine-2,4-diyl)bis(oxy))bis-
CID 3071542
1,3,5-Triazine, 2,4-dimethoxy-6-(4-morpholinyl)-
CID 4092448

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The IUPAC name of 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile (CID 729542) is 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile.
What is the SMILES notation for 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The canonical SMILES for 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is CCOc1nc(C#N)nc(N2CCOCC2)n1.
What is the InChIKey of 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
The InChIKey is HRQYWOOZOXTWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-2-17-10-13-8(7-11)12-9(14-10)15-3-5-16-6-4-15/h2-6H2,1H3.
What are the key properties of 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile?
4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile has a molecular weight of 235.25 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile is sourced from PubChem (CID 729542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).