2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine

C8H16N6O5 — CID 154066504

IUPAC2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C8H16N6O5/c1-15-12-6-9-7(13(16-2)17-3)11-8(10-6)14(18-4)19-5/h1-5H3,(H,9,10,11,12)
InChIKeyPJIQDGCEXTZLIP-UHFFFAOYSA-N
MW276.25 g/mol
LogP-0.30
Rot. Bonds8

About 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine

2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 154066504) has the molecular formula C8H16N6O5 and a molecular weight of 276.25 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID154066504
Molecular FormulaC8H16N6O5
Molecular Weight276.25 g/mol
Exact Mass276.12
IUPAC Name2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
SMILESCONc1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C8H16N6O5/c1-15-12-6-9-7(13(16-2)17-3)11-8(10-6)14(18-4)19-5/h1-5H3,(H,9,10,11,12)
InChIKeyPJIQDGCEXTZLIP-UHFFFAOYSA-N
XLogP-0.30
TPSA103.33 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.25
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine (CID 154066504) is 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine is CONc1nc(N(OC)OC)nc(N(OC)OC)n1.
What is the InChIKey of 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is PJIQDGCEXTZLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O5/c1-15-12-6-9-7(13(16-2)17-3)11-8(10-6)14(18-4)19-5/h1-5H3,(H,9,10,11,12).
What are the key properties of 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?
2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 276.25 g/mol, XLogP of -0.30, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 154066504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).