(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid

C13H15N5O3 — CID 66264397

IUPAC(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCCC[C@H]2C(=O)O)cnc2ncnn12
InChIInChI=1S/C13H15N5O3/c1-8-9(6-14-13-15-7-16-18(8)13)11(19)17-5-3-2-4-10(17)12(20)21/h6-7,10H,2-5H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyAWASBFWOYYFJGD-JTQLQIEISA-N
MW289.30 g/mol
LogP0.51
Rot. Bonds2

About (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid

(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid (PubChem CID 66264397) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
PubChem CID66264397
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
SMILESCc1c(C(=O)N2CCCC[C@H]2C(=O)O)cnc2ncnn12
InChIInChI=1S/C13H15N5O3/c1-8-9(6-14-13-15-7-16-18(8)13)11(19)17-5-3-2-4-10(17)12(20)21/h6-7,10H,2-5H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyAWASBFWOYYFJGD-JTQLQIEISA-N
XLogP0.51
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.51
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-6-carbonyl)piperidine-4-carboxylic acid
CID 43354172
(3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81127032
2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791778
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120514993
(3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone
CID 106671720
3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one
CID 63607075
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43430229
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
(2R)-1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370990
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345
1-(2-bromo-5-methylbenzoyl)piperidine-2-carboxylic acid
CID 81110904

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid (CID 66264397) is (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid is Cc1c(C(=O)N2CCCC[C@H]2C(=O)O)cnc2ncnn12.
What is the InChIKey of (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is AWASBFWOYYFJGD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-9(6-14-13-15-7-16-18(8)13)11(19)17-5-3-2-4-10(17)12(20)21/h6-7,10H,2-5H2,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid?
(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 289.30 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66264397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).