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

C5H12N6O4 — CID 174614470

IUPACmethoxymethanetriol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(O)(O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H6O4/c4-1-7-2(5)9-3(6)8-1;1-6-2(3,4)5/h(H6,4,5,6,7,8,9);3-5H,1H3
InChIKeyDWKVAODLKXEVJY-UHFFFAOYSA-N
MW220.19 g/mol
LogP-3.16
Rot. Bonds1

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

methoxymethanetriol;1,3,5-triazine-2,4,6-triamine (PubChem CID 174614470) has the molecular formula C5H12N6O4 and a molecular weight of 220.19 g/mol. Its IUPAC name is methoxymethanetriol;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Namemethoxymethanetriol;1,3,5-triazine-2,4,6-triamine
PubChem CID174614470
Molecular FormulaC5H12N6O4
Molecular Weight220.19 g/mol
Exact Mass220.09
IUPAC Namemethoxymethanetriol;1,3,5-triazine-2,4,6-triamine
SMILESCOC(O)(O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C2H6O4/c4-1-7-2(5)9-3(6)8-1;1-6-2(3,4)5/h(H6,4,5,6,7,8,9);3-5H,1H3
InChIKeyDWKVAODLKXEVJY-UHFFFAOYSA-N
XLogP-3.16
TPSA186.65 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.19
LogP ≤ 5-3.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
N-Hydroxy-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 71443744
Trimethoxymethylmelamine
CID 21189409
(4,6-Dimethoxy-1,3,5-triazin-2-yl)carbamic acid
CID 18947511
Hydroxymethoxymethanol;1,3,5-triazine-2,4,6-triamine
CID 19739497
[4,6-Bis(hydroxymethoxy)-1,3,5-triazin-2-yl]oxymethanol
CID 19855688
[(4,6-Diamino-1,3,5-triazin-2-yl)-(trimethoxymethyl)amino]methanol
CID 21896352
[(4,6-Diamino-1,3,5-triazin-2-yl)-(dimethoxymethyl)amino]methanol
CID 21896353
[(4,6-Diamino-1,3,5-triazin-2-yl)-(methoxymethyl)amino]methanol
CID 21961069
[[4-Amino-6-[hydroxymethyl(trimethoxymethyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]methanol
CID 22481448
Methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 23284142
Methanol;1,3,5-triazine-2,4,6-triamine
CID 23304119

Frequently Asked Questions

What is the IUPAC name of methoxymethanetriol;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of methoxymethanetriol;1,3,5-triazine-2,4,6-triamine (CID 174614470) is methoxymethanetriol;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for methoxymethanetriol;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for methoxymethanetriol;1,3,5-triazine-2,4,6-triamine is COC(O)(O)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of methoxymethanetriol;1,3,5-triazine-2,4,6-triamine?
The InChIKey is DWKVAODLKXEVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C2H6O4/c4-1-7-2(5)9-3(6)8-1;1-6-2(3,4)5/h(H6,4,5,6,7,8,9);3-5H,1H3.
What are the key properties of methoxymethanetriol;1,3,5-triazine-2,4,6-triamine?
methoxymethanetriol;1,3,5-triazine-2,4,6-triamine has a molecular weight of 220.19 g/mol, XLogP of -3.16, 1 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethanetriol;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 174614470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).