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

C10H22N6O4 — CID 158234542

IUPAC1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol
SMILESCOC(CCCO)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H16O4.C3H6N6/c1-9-7(10-2,11-3)5-4-6-8;4-1-7-2(5)9-3(6)8-1/h8H,4-6H2,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyGEULZZOMPMIBDU-UHFFFAOYSA-N
MW290.32 g/mol
LogP-1.03
Rot. Bonds6

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

1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol (PubChem CID 158234542) 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;4,4,4-trimethoxybutan-1-ol.

Molecular Properties

Compound Name1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol
PubChem CID158234542
Molecular FormulaC10H22N6O4
Molecular Weight290.32 g/mol
Exact Mass290.17
IUPAC Name1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol
SMILESCOC(CCCO)(OC)OC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C7H16O4.C3H6N6/c1-9-7(10-2,11-3)5-4-6-8;4-1-7-2(5)9-3(6)8-1/h8H,4-6H2,1-3H3;(H6,4,5,6,7,8,9)
InChIKeyGEULZZOMPMIBDU-UHFFFAOYSA-N
XLogP-1.03
TPSA164.65 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
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;4,4,4-trimethoxybutan-1-ol?
The IUPAC name of 1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol (CID 158234542) is 1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol.
What is the SMILES notation for 1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol?
The canonical SMILES for 1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol is COC(CCCO)(OC)OC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol?
The InChIKey is GEULZZOMPMIBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4.C3H6N6/c1-9-7(10-2,11-3)5-4-6-8;4-1-7-2(5)9-3(6)8-1/h8H,4-6H2,1-3H3;(H6,4,5,6,7,8,9).
What are the key properties of 1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol?
1,3,5-triazine-2,4,6-triamine;4,4,4-trimethoxybutan-1-ol has a molecular weight of 290.32 g/mol, XLogP of -1.03, 6 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;4,4,4-trimethoxybutan-1-ol is sourced from PubChem (CID 158234542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).