butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine

C9H20N6O3 — CID 87187433

IUPACbutoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOC(O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O3.C3H6N6/c1-3-4-5-9-6(7)8-2;4-1-7-2(5)9-3(6)8-1/h6-7H,3-5H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyQWCAMDQEFXEEIZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP-0.66
Rot. Bonds5

About butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine

butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 87187433) has the molecular formula C9H20N6O3 and a molecular weight of 260.30 g/mol. Its IUPAC name is butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namebutoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine
PubChem CID87187433
Molecular FormulaC9H20N6O3
Molecular Weight260.30 g/mol
Exact Mass260.16
IUPAC Namebutoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOC(O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O3.C3H6N6/c1-3-4-5-9-6(7)8-2;4-1-7-2(5)9-3(6)8-1/h6-7H,3-5H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyQWCAMDQEFXEEIZ-UHFFFAOYSA-N
XLogP-0.66
TPSA155.42 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine (CID 87187433) is butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine is CCCCOC(O)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is QWCAMDQEFXEEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3.C3H6N6/c1-3-4-5-9-6(7)8-2;4-1-7-2(5)9-3(6)8-1/h6-7H,3-5H2,1-2H3;(H6,4,5,6,7,8,9).
What are the key properties of butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine?
butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 260.30 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(methoxy)methanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 87187433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).