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

C7H16N6O3 — CID 135335672

IUPAC1,3,5-triazine-2,4,6-triamine;trimethoxymethane
SMILESCOC(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O3.C3H6N6/c1-5-4(6-2)7-3;4-1-7-2(5)9-3(6)8-1/h4H,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyJPSHRLIVSUZLJQ-UHFFFAOYSA-N
MW232.24 g/mol
LogP-1.17
Rot. Bonds3

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

1,3,5-triazine-2,4,6-triamine;trimethoxymethane (PubChem CID 135335672) has the molecular formula C7H16N6O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-triamine;trimethoxymethane.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine;trimethoxymethane
PubChem CID135335672
Molecular FormulaC7H16N6O3
Molecular Weight232.24 g/mol
Exact Mass232.13
IUPAC Name1,3,5-triazine-2,4,6-triamine;trimethoxymethane
SMILESCOC(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C4H10O3.C3H6N6/c1-5-4(6-2)7-3;4-1-7-2(5)9-3(6)8-1/h4H,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyJPSHRLIVSUZLJQ-UHFFFAOYSA-N
XLogP-1.17
TPSA144.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-triazine-2,4,6-triamine
CID 67592325
1,3,5-triazine-2,4,6-triamine
CID 67883493
1,3,5-triazine-2,4,6-triamine
CID 22011128
2-N-(4,6-diamino-1,3,5-triazin-2-yl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 144607170
6-(1,1,2,2-tetramethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122446894
cerium;1,3,5-triazine-2,4,6-triamine
CID 161330303
6-(3-methoxy-2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 112681519
azane;cobalt;1,3,5-triazine-2,4,6-triamine
CID 172711382
azane;molybdenum(4+);1,3,5-triazine-2,4,6-triamine
CID 172706405
1,1-dimethoxyethanol;1,3,5-triazine-2,4,6-triamine
CID 89428921
ethoxyethane;1,3,5-triazine-2,4,6-triamine
CID 22177331
CID 175112486
CID 175112486

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4,6-triamine;trimethoxymethane?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine;trimethoxymethane (CID 135335672) is 1,3,5-triazine-2,4,6-triamine;trimethoxymethane.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine;trimethoxymethane?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine;trimethoxymethane is COC(OC)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine;trimethoxymethane?
The InChIKey is JPSHRLIVSUZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H6N6/c1-5-4(6-2)7-3;4-1-7-2(5)9-3(6)8-1/h4H,1-3H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazine-2,4,6-triamine;trimethoxymethane?
1,3,5-triazine-2,4,6-triamine;trimethoxymethane has a molecular weight of 232.24 g/mol, XLogP of -1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-triamine;trimethoxymethane is sourced from PubChem (CID 135335672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).