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

C7H16N6O4 — CID 87566011

IUPAC1,3,5-triazine-2,4,6-triamine;trimethoxymethanol
SMILESCOC(O)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O4.C3H6N6/c1-6-4(5,7-2)8-3;4-1-7-2(5)9-3(6)8-1/h5H,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyMGIXPVRMEALLSX-UHFFFAOYSA-N
MW248.24 g/mol
LogP-1.85
Rot. Bonds3

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

1,3,5-triazine-2,4,6-triamine;trimethoxymethanol (PubChem CID 87566011) has the molecular formula C7H16N6O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine;trimethoxymethanol
PubChem CID87566011
Molecular FormulaC7H16N6O4
Molecular Weight248.24 g/mol
Exact Mass248.12
IUPAC Name1,3,5-triazine-2,4,6-triamine;trimethoxymethanol
SMILESCOC(O)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O4.C3H6N6/c1-6-4(5,7-2)8-3;4-1-7-2(5)9-3(6)8-1/h5H,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyMGIXPVRMEALLSX-UHFFFAOYSA-N
XLogP-1.85
TPSA164.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol (CID 87566011) is 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol is COC(O)(OC)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol?
The InChIKey is MGIXPVRMEALLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O4.C3H6N6/c1-6-4(5,7-2)8-3;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 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol?
1,3,5-triazine-2,4,6-triamine;trimethoxymethanol has a molecular weight of 248.24 g/mol, XLogP of -1.85, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-triamine;trimethoxymethanol is sourced from PubChem (CID 87566011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).