1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine

C7H16N6O3 — CID 89428921

IUPAC1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)(O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O3.C3H6N6/c1-4(5,6-2)7-3;4-1-7-2(5)9-3(6)8-1/h5H,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyJZLGPFRTHDUHDG-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.44
Rot. Bonds2

About 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine

1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 89428921) has the molecular formula C7H16N6O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID89428921
Molecular FormulaC7H16N6O3
Molecular Weight232.24 g/mol
Exact Mass232.13
IUPAC Name1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)(O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O3.C3H6N6/c1-4(5,6-2)7-3;4-1-7-2(5)9-3(6)8-1/h5H,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyJZLGPFRTHDUHDG-UHFFFAOYSA-N
XLogP-1.44
TPSA155.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine (CID 89428921) is 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine is COC(C)(O)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is JZLGPFRTHDUHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H6N6/c1-4(5,6-2)7-3;4-1-7-2(5)9-3(6)8-1/h5H,1-3H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine?
1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 232.24 g/mol, XLogP of -1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89428921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).