3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid

C7H10N4O2 — CID 83828476

IUPAC3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)c1nccnn1
InChIInChI=1S/C7H10N4O2/c1-11(5-2-6(12)13)7-8-3-4-9-10-7/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyOPSOCKQDIZHCDV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.22
Rot. Bonds4

About 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid

3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid (PubChem CID 83828476) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid
PubChem CID83828476
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)c1nccnn1
InChIInChI=1S/C7H10N4O2/c1-11(5-2-6(12)13)7-8-3-4-9-10-7/h3-4H,2,5H2,1H3,(H,12,13)
InChIKeyOPSOCKQDIZHCDV-UHFFFAOYSA-N
XLogP-0.22
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid (CID 83828476) is 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid is CN(CCC(=O)O)c1nccnn1.
What is the InChIKey of 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid?
The InChIKey is OPSOCKQDIZHCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c1-11(5-2-6(12)13)7-8-3-4-9-10-7/h3-4H,2,5H2,1H3,(H,12,13).
What are the key properties of 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid?
3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1,2,4-triazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 83828476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).