2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid

C10H15N3O2 — CID 105462961

IUPAC2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nncc(C(C)(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-6(9(14)15)8-12-7(5-11-13-8)10(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyQDSUUZXSSOYKNK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.36
Rot. Bonds2

About 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid

2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid (PubChem CID 105462961) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid
PubChem CID105462961
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1nncc(C(C)(C)C)n1
InChIInChI=1S/C10H15N3O2/c1-6(9(14)15)8-12-7(5-11-13-8)10(2,3)4/h5-6H,1-4H3,(H,14,15)
InChIKeyQDSUUZXSSOYKNK-UHFFFAOYSA-N
XLogP1.36
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyclobutyl-1,2,4-triazin-3-yl)propanoic acid
CID 105460244
2-(5,6-diethyl-1,2,4-triazin-3-yl)propanoic acid
CID 105363547
2-phthalazin-6-ylpropanoic acid
CID 117290775
2-(4,5,6-trimethylpyrimidin-2-yl)propanoic acid
CID 105448076
2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid
CID 105462882
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]propanedioic acid
CID 116868102
2-[(6-tert-butylpyridazin-3-yl)amino]propanoic acid
CID 116971445
2-(4-tert-butyl-1,3-oxazol-2-yl)-2-hydroxyacetic acid
CID 115021616
2-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)propanoic acid
CID 116989598
(2S)-2-(2-tert-butyl-4-fluoropyrimidin-5-yl)-3-methylbutanoic acid
CID 70419799
2-[3-(2-fluoro-2-methylpropyl)triazol-4-yl]propanoic acid
CID 84680927
2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83849784

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid?
The IUPAC name of 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid (CID 105462961) is 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid?
The canonical SMILES for 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid is CC(C(=O)O)c1nncc(C(C)(C)C)n1.
What is the InChIKey of 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid?
The InChIKey is QDSUUZXSSOYKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(9(14)15)8-12-7(5-11-13-8)10(2,3)4/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid?
2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1,2,4-triazin-3-yl)propanoic acid is sourced from PubChem (CID 105462961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).