2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid

C10H15N3O2 — CID 105462882

IUPAC2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid
SMILESCC(C)c1cnnc(C(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-6(2)7-5-11-13-8(12-7)10(3,4)9(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyNNPYPBRXWRSOLG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.36
Rot. Bonds3

About 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid

2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid (PubChem CID 105462882) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid
PubChem CID105462882
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid
SMILESCC(C)c1cnnc(C(C)(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-6(2)7-5-11-13-8(12-7)10(3,4)9(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyNNPYPBRXWRSOLG-UHFFFAOYSA-N
XLogP1.36
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid (CID 105462882) is 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid is CC(C)c1cnnc(C(C)(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid?
The InChIKey is NNPYPBRXWRSOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(2)7-5-11-13-8(12-7)10(3,4)9(14)15/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid?
2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-propan-2-yl-1,2,4-triazin-3-yl)propanoic acid is sourced from PubChem (CID 105462882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).