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

C13H28N6O7 — CID 19767300

IUPAC1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)(OC)C(OC)(OC)C(O)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C10H22O7.C3H6N6/c1-8(12-2,13-3)9(14-4,15-5)10(11,16-6)17-7;4-1-7-2(5)9-3(6)8-1/h11H,1-7H3;(H6,4,5,6,7,8,9)
InChIKeyMROXWSXXGVKQCR-UHFFFAOYSA-N
MW380.40 g/mol
LogP-1.46
Rot. Bonds8

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

1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine (PubChem CID 19767300) has the molecular formula C13H28N6O7 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine
PubChem CID19767300
Molecular FormulaC13H28N6O7
Molecular Weight380.40 g/mol
Exact Mass380.20
IUPAC Name1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)(OC)C(OC)(OC)C(O)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C10H22O7.C3H6N6/c1-8(12-2,13-3)9(14-4,15-5)10(11,16-6)17-7;4-1-7-2(5)9-3(6)8-1/h11H,1-7H3;(H6,4,5,6,7,8,9)
InChIKeyMROXWSXXGVKQCR-UHFFFAOYSA-N
XLogP-1.46
TPSA192.34 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

1,3,5-Triazine-2,4,6-triamine;1,1,2-trimethoxy-2-methylpropan-1-ol
CID 19767293
1,3,5-Triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol
CID 19767298
1,1,1,2,3,3-Hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
CID 19767302
1,3,5-Triazine-2,4,6-triamine;1,1,1-trimethoxypropan-2-ol
CID 19767305
2-N-(1,1,2,2,3,3-hexamethoxybutoxy)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20488472
2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56613393
1,3,5-Triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol
CID 158234542
1,3,5-Triazine-2,4,6-triamine;3,3,3-trimethoxy-2-(trimethoxymethyl)propan-1-ol
CID 158283207
1,1,1,3,3,3-Hexamethoxypropan-2-ol;1,3,5-triazine-2,4,6-triamine
CID 160080079
1,3,5-Triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol
CID 160583275

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine (CID 19767300) is 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine is COC(C)(OC)C(OC)(OC)C(O)(OC)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is MROXWSXXGVKQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O7.C3H6N6/c1-8(12-2,13-3)9(14-4,15-5)10(11,16-6)17-7;4-1-7-2(5)9-3(6)8-1/h11H,1-7H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine?
1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 380.40 g/mol, XLogP of -1.46, 8 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19767300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).