hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine

C5H12N6O3 — CID 19739497

IUPAChydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.OCOCO
InChIInChI=1S/C3H6N6.C2H6O3/c4-1-7-2(5)9-3(6)8-1;3-1-5-2-4/h(H6,4,5,6,7,8,9);3-4H,1-2H2
InChIKeyJRNVMOXLQRGKJU-UHFFFAOYSA-N
MW204.19 g/mol
LogP-2.48
Rot. Bonds2

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

hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 19739497) has the molecular formula C5H12N6O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namehydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID19739497
Molecular FormulaC5H12N6O3
Molecular Weight204.19 g/mol
Exact Mass204.10
IUPAC Namehydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESNc1nc(N)nc(N)n1.OCOCO
InChIInChI=1S/C3H6N6.C2H6O3/c4-1-7-2(5)9-3(6)8-1;3-1-5-2-4/h(H6,4,5,6,7,8,9);3-4H,1-2H2
InChIKeyJRNVMOXLQRGKJU-UHFFFAOYSA-N
XLogP-2.48
TPSA166.42 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-2.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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 hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine (CID 19739497) is hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine is Nc1nc(N)nc(N)n1.OCOCO.
What is the InChIKey of hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is JRNVMOXLQRGKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H6O3/c4-1-7-2(5)9-3(6)8-1;3-1-5-2-4/h(H6,4,5,6,7,8,9);3-4H,1-2H2.
What are the key properties of hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine?
hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 204.19 g/mol, XLogP of -2.48, 2 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19739497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).