(4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide

C8H11N5O3 — CID 869028

IUPAC(4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide
SMILESCOCN(C#N)c1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N5O3/c1-14-5-13(4-9)6-10-7(15-2)12-8(11-6)16-3/h5H2,1-3H3
InChIKeyTUWDPWSZHGLVHH-UHFFFAOYSA-N
MW225.21 g/mol
LogP-0.22
Rot. Bonds5

About (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide

(4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide (PubChem CID 869028) has the molecular formula C8H11N5O3 and a molecular weight of 225.21 g/mol. Its IUPAC name is (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide.

Molecular Properties

Compound Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide
PubChem CID869028
Molecular FormulaC8H11N5O3
Molecular Weight225.21 g/mol
Exact Mass225.09
IUPAC Name(4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide
SMILESCOCN(C#N)c1nc(OC)nc(OC)n1
InChIInChI=1S/C8H11N5O3/c1-14-5-13(4-9)6-10-7(15-2)12-8(11-6)16-3/h5H2,1-3H3
InChIKeyTUWDPWSZHGLVHH-UHFFFAOYSA-N
XLogP-0.22
TPSA93.39 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide?
The IUPAC name of (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide (CID 869028) is (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide.
What is the SMILES notation for (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide?
The canonical SMILES for (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide is COCN(C#N)c1nc(OC)nc(OC)n1.
What is the InChIKey of (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide?
The InChIKey is TUWDPWSZHGLVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O3/c1-14-5-13(4-9)6-10-7(15-2)12-8(11-6)16-3/h5H2,1-3H3.
What are the key properties of (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide?
(4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide has a molecular weight of 225.21 g/mol, XLogP of -0.22, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-dimethoxy-1,3,5-triazin-2-yl)-(methoxymethyl)cyanamide is sourced from PubChem (CID 869028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).