3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid

C13H15N5O3 — CID 63146664

IUPAC3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccnc2nc(C(=O)N3CCC(C)(C(=O)O)C3)nn12
InChIInChI=1S/C13H15N5O3/c1-8-3-5-14-12-15-9(16-18(8)12)10(19)17-6-4-13(2,7-17)11(20)21/h3,5H,4,6-7H2,1-2H3,(H,20,21)
InChIKeyOASWTBHVRCRWLE-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.37
Rot. Bonds2

About 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146664) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63146664
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccnc2nc(C(=O)N3CCC(C)(C(=O)O)C3)nn12
InChIInChI=1S/C13H15N5O3/c1-8-3-5-14-12-15-9(16-18(8)12)10(19)17-6-4-13(2,7-17)11(20)21/h3,5H,4,6-7H2,1-2H3,(H,20,21)
InChIKeyOASWTBHVRCRWLE-UHFFFAOYSA-N
XLogP0.37
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351150
(3S,4S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951460
(3R)-3-methyl-1-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 124696891
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 95296605
3-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142818
N-[(1-hydroxycyclobutyl)methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115643395
3-methyl-1-(1H-1,2,4-triazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63652775
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 78788944
1-(2-bromopyridine-3-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114036696
(2S,3aS,7aS)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124699025
1-(2-cyclobutyloxypyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 120529143
3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146235

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 63146664) is 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ccnc2nc(C(=O)N3CCC(C)(C(=O)O)C3)nn12.
What is the InChIKey of 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is OASWTBHVRCRWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-3-5-14-12-15-9(16-18(8)12)10(19)17-6-4-13(2,7-17)11(20)21/h3,5H,4,6-7H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).