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

C7H12N6O3 — CID 19911828

IUPAC2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine
SMILESCON/C(N)=N\c1nc(OC)nc(OC)n1
InChIInChI=1S/C7H12N6O3/c1-14-6-10-5(9-4(8)13-16-3)11-7(12-6)15-2/h1-3H3,(H3,8,9,10,11,12,13)
InChIKeyOMCLRNODOJLVCB-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.01
Rot. Bonds4

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

2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine (PubChem CID 19911828) has the molecular formula C7H12N6O3 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine.

Molecular Properties

Compound Name2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine
PubChem CID19911828
Molecular FormulaC7H12N6O3
Molecular Weight228.21 g/mol
Exact Mass228.10
IUPAC Name2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine
SMILESCON/C(N)=N\c1nc(OC)nc(OC)n1
InChIInChI=1S/C7H12N6O3/c1-14-6-10-5(9-4(8)13-16-3)11-7(12-6)15-2/h1-3H3,(H3,8,9,10,11,12,13)
InChIKeyOMCLRNODOJLVCB-UHFFFAOYSA-N
XLogP-1.01
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine?
The IUPAC name of 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine (CID 19911828) is 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine.
What is the SMILES notation for 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine?
The canonical SMILES for 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine is CON/C(N)=N\c1nc(OC)nc(OC)n1.
What is the InChIKey of 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine?
The InChIKey is OMCLRNODOJLVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N6O3/c1-14-6-10-5(9-4(8)13-16-3)11-7(12-6)15-2/h1-3H3,(H3,8,9,10,11,12,13).
What are the key properties of 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine?
2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine has a molecular weight of 228.21 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethoxy-1,3,5-triazin-2-yl)-1-methoxyguanidine is sourced from PubChem (CID 19911828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).