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

C7H14N6O3 — CID 70520923

IUPAC2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(N)n1.COCC(=O)O
InChIInChI=1S/C4H8N6.C3H6O3/c1-7-4-9-2(5)8-3(6)10-4;1-6-2-3(4)5/h1H3,(H5,5,6,7,8,9,10);2H2,1H3,(H,4,5)
InChIKeyJUIIZAFVUKITJT-UHFFFAOYSA-N
MW230.23 g/mol
LogP-1.20
Rot. Bonds3

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

2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 70520923) has the molecular formula C7H14N6O3 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine
PubChem CID70520923
Molecular FormulaC7H14N6O3
Molecular Weight230.23 g/mol
Exact Mass230.11
IUPAC Name2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N)nc(N)n1.COCC(=O)O
InChIInChI=1S/C4H8N6.C3H6O3/c1-7-4-9-2(5)8-3(6)10-4;1-6-2-3(4)5/h1H3,(H5,5,6,7,8,9,10);2H2,1H3,(H,4,5)
InChIKeyJUIIZAFVUKITJT-UHFFFAOYSA-N
XLogP-1.20
TPSA149.27 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 70520923) is 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(N)n1.COCC(=O)O.
What is the InChIKey of 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JUIIZAFVUKITJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6.C3H6O3/c1-7-4-9-2(5)8-3(6)10-4;1-6-2-3(4)5/h1H3,(H5,5,6,7,8,9,10);2H2,1H3,(H,4,5).
What are the key properties of 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine?
2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 230.23 g/mol, XLogP of -1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyacetic acid;2-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 70520923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).