3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid

C10H15N5O2 — CID 107325400

IUPAC3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nnc(N2CCC(N)(C(=O)O)C2)nc1C
InChIInChI=1S/C10H15N5O2/c1-6-7(2)13-14-9(12-6)15-4-3-10(11,5-15)8(16)17/h3-5,11H2,1-2H3,(H,16,17)
InChIKeyYHIZLHOMLDXGSP-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.52
Rot. Bonds2

About 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid

3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid (PubChem CID 107325400) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid
PubChem CID107325400
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nnc(N2CCC(N)(C(=O)O)C2)nc1C
InChIInChI=1S/C10H15N5O2/c1-6-7(2)13-14-9(12-6)15-4-3-10(11,5-15)8(16)17/h3-5,11H2,1-2H3,(H,16,17)
InChIKeyYHIZLHOMLDXGSP-UHFFFAOYSA-N
XLogP-0.52
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
CID 107325364
3-amino-1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325108
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
3-amino-1-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325305
3-amino-1-(3-ethyl-1,2,4-thiadiazol-5-yl)pyrrolidine-3-carboxylic acid
CID 107325141
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
[1-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 107160463
3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325349
3-amino-1-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325393
3-amino-1-(5-nitropyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325477
3-amino-1-(2,3-dimethyl-5-nitroimidazol-4-yl)pyrrolidine-3-carboxylic acid
CID 107325464
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325196

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid (CID 107325400) is 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid is Cc1nnc(N2CCC(N)(C(=O)O)C2)nc1C.
What is the InChIKey of 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is YHIZLHOMLDXGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-7(2)13-14-9(12-6)15-4-3-10(11,5-15)8(16)17/h3-5,11H2,1-2H3,(H,16,17).
What are the key properties of 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid?
3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).