2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid

C10H17N5O4 — CID 22295101

IUPAC2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid
SMILESCCC(Oc1nc(NOC)nc(N(C)C)n1)C(=O)O
InChIInChI=1S/C10H17N5O4/c1-5-6(7(16)17)19-10-12-8(14-18-4)11-9(13-10)15(2)3/h6H,5H2,1-4H3,(H,16,17)(H,11,12,13,14)
InChIKeyBMXGOOXRVUYOCF-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.15
Rot. Bonds7

About 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid

2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid (PubChem CID 22295101) has the molecular formula C10H17N5O4 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid.

Molecular Properties

Compound Name2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid
PubChem CID22295101
Molecular FormulaC10H17N5O4
Molecular Weight271.28 g/mol
Exact Mass271.13
IUPAC Name2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid
SMILESCCC(Oc1nc(NOC)nc(N(C)C)n1)C(=O)O
InChIInChI=1S/C10H17N5O4/c1-5-6(7(16)17)19-10-12-8(14-18-4)11-9(13-10)15(2)3/h6H,5H2,1-4H3,(H,16,17)(H,11,12,13,14)
InChIKeyBMXGOOXRVUYOCF-UHFFFAOYSA-N
XLogP0.15
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid?
The IUPAC name of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid (CID 22295101) is 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid.
What is the SMILES notation for 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid?
The canonical SMILES for 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid is CCC(Oc1nc(NOC)nc(N(C)C)n1)C(=O)O.
What is the InChIKey of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid?
The InChIKey is BMXGOOXRVUYOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O4/c1-5-6(7(16)17)19-10-12-8(14-18-4)11-9(13-10)15(2)3/h6H,5H2,1-4H3,(H,16,17)(H,11,12,13,14).
What are the key properties of 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid?
2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid has a molecular weight of 271.28 g/mol, XLogP of 0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(dimethylamino)-6-(methoxyamino)-1,3,5-triazin-2-yl]oxy]butanoic acid is sourced from PubChem (CID 22295101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).