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

C10H22N6O4 — CID 19767298

IUPAC1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol
SMILESCCC(OC)C(O)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H16O4.C3H6N6/c1-5-6(9-2)7(8,10-3)11-4;4-1-7-2(5)9-3(6)8-1/h6,8H,5H2,1-4H3;(H6,4,5,6,7,8,9)
InChIKeyIBSWHRGWCVVDHL-UHFFFAOYSA-N
MW290.32 g/mol
LogP-1.03
Rot. Bonds5

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

1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol (PubChem CID 19767298) has the molecular formula C10H22N6O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol
PubChem CID19767298
Molecular FormulaC10H22N6O4
Molecular Weight290.32 g/mol
Exact Mass290.17
IUPAC Name1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol
SMILESCCC(OC)C(O)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H16O4.C3H6N6/c1-5-6(9-2)7(8,10-3)11-4;4-1-7-2(5)9-3(6)8-1/h6,8H,5H2,1-4H3;(H6,4,5,6,7,8,9)
InChIKeyIBSWHRGWCVVDHL-UHFFFAOYSA-N
XLogP-1.03
TPSA164.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-1.03
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-trimethoxybutan-1-ol?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol (CID 19767298) is 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol is CCC(OC)C(O)(OC)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol?
The InChIKey is IBSWHRGWCVVDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4.C3H6N6/c1-5-6(9-2)7(8,10-3)11-4;4-1-7-2(5)9-3(6)8-1/h6,8H,5H2,1-4H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol?
1,3,5-triazine-2,4,6-triamine;1,1,2-trimethoxybutan-1-ol has a molecular weight of 290.32 g/mol, XLogP of -1.03, 5 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-trimethoxybutan-1-ol is sourced from PubChem (CID 19767298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).