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

C9H14N4O2 — CID 83834762

IUPAC2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid
SMILESCC(C)N(c1nccnn1)C(C)C(=O)O
InChIInChI=1S/C9H14N4O2/c1-6(2)13(7(3)8(14)15)9-10-4-5-11-12-9/h4-7H,1-3H3,(H,14,15)
InChIKeyLVERHZDRLBAEKJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.56
Rot. Bonds4

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

2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid (PubChem CID 83834762) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid
PubChem CID83834762
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid
SMILESCC(C)N(c1nccnn1)C(C)C(=O)O
InChIInChI=1S/C9H14N4O2/c1-6(2)13(7(3)8(14)15)9-10-4-5-11-12-9/h4-7H,1-3H3,(H,14,15)
InChIKeyLVERHZDRLBAEKJ-UHFFFAOYSA-N
XLogP0.56
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid?
The IUPAC name of 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid (CID 83834762) is 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid.
What is the SMILES notation for 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid?
The canonical SMILES for 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid is CC(C)N(c1nccnn1)C(C)C(=O)O.
What is the InChIKey of 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid?
The InChIKey is LVERHZDRLBAEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6(2)13(7(3)8(14)15)9-10-4-5-11-12-9/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid?
2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid has a molecular weight of 210.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(1,2,4-triazin-3-yl)amino]propanoic acid is sourced from PubChem (CID 83834762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).