3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid

C9H13N3O2 — CID 105448912

IUPAC3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid
SMILESCc1nnc(CC(C)C(=O)O)nc1C
InChIInChI=1S/C9H13N3O2/c1-5(9(13)14)4-8-10-6(2)7(3)11-12-8/h5H,4H2,1-3H3,(H,13,14)
InChIKeyBSLTZDLRFRGFAE-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.75
Rot. Bonds3

About 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid

3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid (PubChem CID 105448912) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid
PubChem CID105448912
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid
SMILESCc1nnc(CC(C)C(=O)O)nc1C
InChIInChI=1S/C9H13N3O2/c1-5(9(13)14)4-8-10-6(2)7(3)11-12-8/h5H,4H2,1-3H3,(H,13,14)
InChIKeyBSLTZDLRFRGFAE-UHFFFAOYSA-N
XLogP0.75
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(4-methylpyrimidin-2-yl)propanoic acid
CID 116900020
3-[4,6-dimethyl-2-(2-methylpropylsulfanylmethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 65293662
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
3-[2-(5,6-dimethyl-1,2,4-triazin-3-yl)ethyl]-5,6-dimethyl-1,2,4-triazine
CID 121014856
3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 65293615
3-[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]-2-methylpropanoic acid
CID 83893329
3-(5,6-dimethyl-2-pyridinyl)-2-methylpropanoic acid
CID 84664754
3-(4,6-dimethoxypyrimidin-2-yl)-2-methylpropanoic acid
CID 105483713
3-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-2-methylpropanoic acid
CID 105494292
3-[4,6-dimethyl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 103475996
2-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82125128
3-[4,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 116633068

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid (CID 105448912) is 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid is Cc1nnc(CC(C)C(=O)O)nc1C.
What is the InChIKey of 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid?
The InChIKey is BSLTZDLRFRGFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5(9(13)14)4-8-10-6(2)7(3)11-12-8/h5H,4H2,1-3H3,(H,13,14).
What are the key properties of 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid?
3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-1,2,4-triazin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105448912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).