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

C5H12N6O2 — CID 66783484

IUPACmethoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESCOCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H6O2/c4-1-7-2(5)9-3(6)8-1;1-4-2-3/h(H6,4,5,6,7,8,9);3H,2H2,1H3
InChIKeyPQPMUTNYOKKTEJ-UHFFFAOYSA-N
MW188.19 g/mol
LogP-1.80
Rot. Bonds1

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

methoxymethanol;1,3,5-triazine-2,4,6-triamine (PubChem CID 66783484) has the molecular formula C5H12N6O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is methoxymethanol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namemethoxymethanol;1,3,5-triazine-2,4,6-triamine
PubChem CID66783484
Molecular FormulaC5H12N6O2
Molecular Weight188.19 g/mol
Exact Mass188.10
IUPAC Namemethoxymethanol;1,3,5-triazine-2,4,6-triamine
SMILESCOCO.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H6O2/c4-1-7-2(5)9-3(6)8-1;1-4-2-3/h(H6,4,5,6,7,8,9);3H,2H2,1H3
InChIKeyPQPMUTNYOKKTEJ-UHFFFAOYSA-N
XLogP-1.80
TPSA146.19 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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 methoxymethanol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of methoxymethanol;1,3,5-triazine-2,4,6-triamine (CID 66783484) is methoxymethanol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for methoxymethanol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for methoxymethanol;1,3,5-triazine-2,4,6-triamine is COCO.Nc1nc(N)nc(N)n1.
What is the InChIKey of methoxymethanol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is PQPMUTNYOKKTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H6O2/c4-1-7-2(5)9-3(6)8-1;1-4-2-3/h(H6,4,5,6,7,8,9);3H,2H2,1H3.
What are the key properties of methoxymethanol;1,3,5-triazine-2,4,6-triamine?
methoxymethanol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 188.19 g/mol, XLogP of -1.80, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethanol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 66783484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).