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

C10H16N4O2 — CID 114786134

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid
SMILESCc1nnc(NCC(C)(C)C(=O)O)nc1C
InChIInChI=1S/C10H16N4O2/c1-6-7(2)13-14-9(12-6)11-5-10(3,4)8(15)16/h5H2,1-4H3,(H,15,16)(H,11,12,14)
InChIKeyXXXPQKJQJGUKSL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.01
Rot. Bonds4

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

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid (PubChem CID 114786134) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid
PubChem CID114786134
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid
SMILESCc1nnc(NCC(C)(C)C(=O)O)nc1C
InChIInChI=1S/C10H16N4O2/c1-6-7(2)13-14-9(12-6)11-5-10(3,4)8(15)16/h5H2,1-4H3,(H,15,16)(H,11,12,14)
InChIKeyXXXPQKJQJGUKSL-UHFFFAOYSA-N
XLogP1.01
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid (CID 114786134) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid is Cc1nnc(NCC(C)(C)C(=O)O)nc1C.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is XXXPQKJQJGUKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-7(2)13-14-9(12-6)11-5-10(3,4)8(15)16/h5H2,1-4H3,(H,15,16)(H,11,12,14).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 114786134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).