3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine

C11H20N6O3 — CID 67624858

IUPAC3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(OC)OC(C=C)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H14O3.C3H6N6/c1-5-7(9-3)11-8(6-2)10-4;4-1-7-2(5)9-3(6)8-1/h5-8H,1-2H2,3-4H3;(H6,4,5,6,7,8,9)
InChIKeyXIWHFNMGQFILLU-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.06
Rot. Bonds6

About 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine

3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine (PubChem CID 67624858) has the molecular formula C11H20N6O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine
PubChem CID67624858
Molecular FormulaC11H20N6O3
Molecular Weight284.32 g/mol
Exact Mass284.16
IUPAC Name3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine
SMILESC=CC(OC)OC(C=C)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H14O3.C3H6N6/c1-5-7(9-3)11-8(6-2)10-4;4-1-7-2(5)9-3(6)8-1/h5-8H,1-2H2,3-4H3;(H6,4,5,6,7,8,9)
InChIKeyXIWHFNMGQFILLU-UHFFFAOYSA-N
XLogP-0.06
TPSA144.42 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine (CID 67624858) is 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine is C=CC(OC)OC(C=C)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine?
The InChIKey is XIWHFNMGQFILLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3.C3H6N6/c1-5-7(9-3)11-8(6-2)10-4;4-1-7-2(5)9-3(6)8-1/h5-8H,1-2H2,3-4H3;(H6,4,5,6,7,8,9).
What are the key properties of 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine?
3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine has a molecular weight of 284.32 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(1-methoxyprop-2-enoxy)prop-1-ene;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 67624858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).