3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid

C12H15N5O2 — CID 122052349

IUPAC3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2ccc(N3CCC(C)(C(=O)O)C3)nn2n1
InChIInChI=1S/C12H15N5O2/c1-8-13-9-3-4-10(15-17(9)14-8)16-6-5-12(2,7-16)11(18)19/h3-4H,5-7H2,1-2H3,(H,18,19)
InChIKeyNAGGPFZEFCGHAR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.73
Rot. Bonds2

About 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122052349) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID122052349
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
SMILESCc1nc2ccc(N3CCC(C)(C(=O)O)C3)nn2n1
InChIInChI=1S/C12H15N5O2/c1-8-13-9-3-4-10(15-17(9)14-8)16-6-5-12(2,7-16)11(18)19/h3-4H,5-7H2,1-2H3,(H,18,19)
InChIKeyNAGGPFZEFCGHAR-UHFFFAOYSA-N
XLogP0.73
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-fluoroquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052481
1-(6-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052469
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052385
1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052480
3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117013202
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 137015803
1-(2-benzylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052513
3-methyl-1-(5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 63147135
1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052427
3-methyl-1-(3-piperidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122052354

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid (CID 122052349) is 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid is Cc1nc2ccc(N3CCC(C)(C(=O)O)C3)nn2n1.
What is the InChIKey of 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is NAGGPFZEFCGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-13-9-3-4-10(15-17(9)14-8)16-6-5-12(2,7-16)11(18)19/h3-4H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).