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

C8H11N5O2 — CID 4208960

IUPAC2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCOc1nc(OCC#N)nc(N(C)C)n1
InChIInChI=1S/C8H11N5O2/c1-13(2)6-10-7(14-3)12-8(11-6)15-5-4-9/h5H2,1-3H3
InChIKeyMIOMDOHTYZNIIF-UHFFFAOYSA-N
MW209.21 g/mol
LogP-0.15
Rot. Bonds4

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

2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile (PubChem CID 4208960) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile
PubChem CID4208960
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile
SMILESCOc1nc(OCC#N)nc(N(C)C)n1
InChIInChI=1S/C8H11N5O2/c1-13(2)6-10-7(14-3)12-8(11-6)15-5-4-9/h5H2,1-3H3
InChIKeyMIOMDOHTYZNIIF-UHFFFAOYSA-N
XLogP-0.15
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile?
The IUPAC name of 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile (CID 4208960) is 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile is COc1nc(OCC#N)nc(N(C)C)n1.
What is the InChIKey of 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile?
The InChIKey is MIOMDOHTYZNIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-13(2)6-10-7(14-3)12-8(11-6)15-5-4-9/h5H2,1-3H3.
What are the key properties of 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile?
2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile has a molecular weight of 209.21 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetonitrile is sourced from PubChem (CID 4208960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).