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

C9H14N4O3 — CID 106108369

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nnc(C)c(C)n1)C(=O)O
InChIInChI=1S/C9H14N4O3/c1-5-6(2)12-13-9(11-5)10-4-7(16-3)8(14)15/h7H,4H2,1-3H3,(H,14,15)(H,10,11,13)
InChIKeyVMPSEAQFTQZYGD-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.00
Rot. Bonds5

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

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid (PubChem CID 106108369) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid
PubChem CID106108369
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid
SMILESCOC(CNc1nnc(C)c(C)n1)C(=O)O
InChIInChI=1S/C9H14N4O3/c1-5-6(2)12-13-9(11-5)10-4-7(16-3)8(14)15/h7H,4H2,1-3H3,(H,14,15)(H,10,11,13)
InChIKeyVMPSEAQFTQZYGD-UHFFFAOYSA-N
XLogP-0.00
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid (CID 106108369) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid is COC(CNc1nnc(C)c(C)n1)C(=O)O.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid?
The InChIKey is VMPSEAQFTQZYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c1-5-6(2)12-13-9(11-5)10-4-7(16-3)8(14)15/h7H,4H2,1-3H3,(H,14,15)(H,10,11,13).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid has a molecular weight of 226.24 g/mol, XLogP of -0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106108369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).