2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine

C6H12N6O3 — CID 70523702

IUPAC2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCOCC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H6O3/c4-1-7-2(5)9-3(6)8-1;1-6-2-3(4)5/h(H6,4,5,6,7,8,9);2H2,1H3,(H,4,5)
InChIKeyQLSGCSWAMJBDAZ-UHFFFAOYSA-N
MW216.20 g/mol
LogP-1.66
Rot. Bonds2

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

2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine (PubChem CID 70523702) has the molecular formula C6H12N6O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
PubChem CID70523702
Molecular FormulaC6H12N6O3
Molecular Weight216.20 g/mol
Exact Mass216.10
IUPAC Name2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine
SMILESCOCC(=O)O.Nc1nc(N)nc(N)n1
InChIInChI=1S/C3H6N6.C3H6O3/c4-1-7-2(5)9-3(6)8-1;1-6-2-3(4)5/h(H6,4,5,6,7,8,9);2H2,1H3,(H,4,5)
InChIKeyQLSGCSWAMJBDAZ-UHFFFAOYSA-N
XLogP-1.66
TPSA163.26 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
CID 176432386
2-[(4-Amino-6-methoxy-1,3,5-triazin-2-yl)oxy]propanoic acid
CID 67900886
Methyl 2-methoxyacetate;1,3,5-triazine-2,4,6-triamine
CID 69403457
Methoxymethane;methyl 2-hydroxyacetate;1,3,5-triazine-2,4,6-triamine
CID 70520922
Methyl melamine glycolate methyl ether
CID 70520923
2-Hydroxyacetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 70523701
2-Hydroxypropanoic acid;1,3,5-triazine-2,4,6-triamine
CID 157803527
2-[[4-(Carboxymethoxy)-6-methoxy-1,3,5-triazin-2-yl]oxy]acetic acid
CID 158815151
2-Hydroxyacetic acid;1,3,5-triazine-2,4,6-triamine
CID 159375275
Oxaldehydic acid;1,3,5-triazine-2,4,6-triamine
CID 159515506
Acetic acid;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 175210382
2-[[4-(Dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]acetic acid
CID 12641791

Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine (CID 70523702) is 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine is COCC(=O)O.Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine?
The InChIKey is QLSGCSWAMJBDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6.C3H6O3/c4-1-7-2(5)9-3(6)8-1;1-6-2-3(4)5/h(H6,4,5,6,7,8,9);2H2,1H3,(H,4,5).
What are the key properties of 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine?
2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine has a molecular weight of 216.20 g/mol, XLogP of -1.66, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70523702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).