1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine

C12H26N6O7 — CID 19767302

IUPAC1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(OC)C(O)(OC)C(OC)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C9H20O7.C3H6N6/c1-11-7(12-2)8(10,13-3)9(14-4,15-5)16-6;4-1-7-2(5)9-3(6)8-1/h7,10H,1-6H3;(H6,4,5,6,7,8,9)
InChIKeyLQLZOLZKMNVCDD-UHFFFAOYSA-N
MW366.38 g/mol
LogP-1.85
Rot. Bonds8

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

1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine (PubChem CID 19767302) has the molecular formula C12H26N6O7 and a molecular weight of 366.38 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
PubChem CID19767302
Molecular FormulaC12H26N6O7
Molecular Weight366.38 g/mol
Exact Mass366.19
IUPAC Name1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(OC)C(O)(OC)C(OC)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C9H20O7.C3H6N6/c1-11-7(12-2)8(10,13-3)9(14-4,15-5)16-6;4-1-7-2(5)9-3(6)8-1/h7,10H,1-6H3;(H6,4,5,6,7,8,9)
InChIKeyLQLZOLZKMNVCDD-UHFFFAOYSA-N
XLogP-1.85
TPSA192.34 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 5-1.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

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 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine (CID 19767302) is 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine is COC(OC)C(O)(OC)C(OC)(OC)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is LQLZOLZKMNVCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O7.C3H6N6/c1-11-7(12-2)8(10,13-3)9(14-4,15-5)16-6;4-1-7-2(5)9-3(6)8-1/h7,10H,1-6H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine?
1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 366.38 g/mol, XLogP of -1.85, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19767302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).