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

C10H22N6O — CID 67569539

IUPAC1-methoxyhexane;1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCOC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H16O.C3H6N6/c1-3-4-5-6-7-8-2;4-1-7-2(5)9-3(6)8-1/h3-7H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyPGYLKNDMWDZVQW-UHFFFAOYSA-N
MW242.33 g/mol
LogP0.83
Rot. Bonds5

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

1-methoxyhexane;1,3,5-triazine-2,4,6-triamine (PubChem CID 67569539) has the molecular formula C10H22N6O and a molecular weight of 242.33 g/mol. Its IUPAC name is 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1-methoxyhexane;1,3,5-triazine-2,4,6-triamine
PubChem CID67569539
Molecular FormulaC10H22N6O
Molecular Weight242.33 g/mol
Exact Mass242.19
IUPAC Name1-methoxyhexane;1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCOC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H16O.C3H6N6/c1-3-4-5-6-7-8-2;4-1-7-2(5)9-3(6)8-1/h3-7H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyPGYLKNDMWDZVQW-UHFFFAOYSA-N
XLogP0.83
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 145085752
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Frequently Asked Questions

What is the IUPAC name of 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine (CID 67569539) is 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine is CCCCCCOC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is PGYLKNDMWDZVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O.C3H6N6/c1-3-4-5-6-7-8-2;4-1-7-2(5)9-3(6)8-1/h3-7H2,1-2H3;(H6,4,5,6,7,8,9).
What are the key properties of 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine?
1-methoxyhexane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 242.33 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyhexane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67569539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).