4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid

C10H16N4O3 — CID 103153709

IUPAC4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid
SMILESCOC(CNc1nnc(C)c(C)n1)CC(=O)O
InChIInChI=1S/C10H16N4O3/c1-6-7(2)13-14-10(12-6)11-5-8(17-3)4-9(15)16/h8H,4-5H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyWWGQZRNUTXERKB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.39
Rot. Bonds6

About 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid

4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid (PubChem CID 103153709) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid
PubChem CID103153709
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid
SMILESCOC(CNc1nnc(C)c(C)n1)CC(=O)O
InChIInChI=1S/C10H16N4O3/c1-6-7(2)13-14-10(12-6)11-5-8(17-3)4-9(15)16/h8H,4-5H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyWWGQZRNUTXERKB-UHFFFAOYSA-N
XLogP0.39
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid?
The IUPAC name of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid (CID 103153709) is 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid.
What is the SMILES notation for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid?
The canonical SMILES for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid is COC(CNc1nnc(C)c(C)n1)CC(=O)O.
What is the InChIKey of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid?
The InChIKey is WWGQZRNUTXERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-7(2)13-14-10(12-6)11-5-8(17-3)4-9(15)16/h8H,4-5H2,1-3H3,(H,15,16)(H,11,12,14).
What are the key properties of 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid?
4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-3-methoxybutanoic acid is sourced from PubChem (CID 103153709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).