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

C9H20N6O4 — CID 160583275

IUPAC1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O4.C3H6N6/c1-6(7,10-4)5(8-2)9-3;4-1-7-2(5)9-3(6)8-1/h5,7H,1-4H3;(H6,4,5,6,7,8,9)
InChIKeyRCBHTKAYKRZQGN-UHFFFAOYSA-N
MW276.30 g/mol
LogP-1.42
Rot. Bonds4

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

1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol (PubChem CID 160583275) has the molecular formula C9H20N6O4 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol
PubChem CID160583275
Molecular FormulaC9H20N6O4
Molecular Weight276.30 g/mol
Exact Mass276.15
IUPAC Name1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol
SMILESCOC(OC)C(C)(O)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C6H14O4.C3H6N6/c1-6(7,10-4)5(8-2)9-3;4-1-7-2(5)9-3(6)8-1/h5,7H,1-4H3;(H6,4,5,6,7,8,9)
InChIKeyRCBHTKAYKRZQGN-UHFFFAOYSA-N
XLogP-1.42
TPSA164.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol (CID 160583275) is 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol is COC(OC)C(C)(O)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol?
The InChIKey is RCBHTKAYKRZQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O4.C3H6N6/c1-6(7,10-4)5(8-2)9-3;4-1-7-2(5)9-3(6)8-1/h5,7H,1-4H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol?
1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol has a molecular weight of 276.30 g/mol, XLogP of -1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxypropan-2-ol is sourced from PubChem (CID 160583275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).