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

C13H15N5O3 — CID 43354172

IUPAC1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CCC(C(=O)O)CC2)cnc2ncnn12
InChIInChI=1S/C13H15N5O3/c1-8-10(6-14-13-15-7-16-18(8)13)11(19)17-4-2-9(3-5-17)12(20)21/h6-7,9H,2-5H2,1H3,(H,20,21)
InChIKeyUSOWGDPNFFDYFC-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.37
Rot. Bonds2

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

1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid (PubChem CID 43354172) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
PubChem CID43354172
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid
SMILESCc1c(C(=O)N2CCC(C(=O)O)CC2)cnc2ncnn12
InChIInChI=1S/C13H15N5O3/c1-8-10(6-14-13-15-7-16-18(8)13)11(19)17-4-2-9(3-5-17)12(20)21/h6-7,9H,2-5H2,1H3,(H,20,21)
InChIKeyUSOWGDPNFFDYFC-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 ≤ 500289.30
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
CID 81127032
(3,4-dihydroxypyrrolidin-1-yl)-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)methanone
CID 106671720
(2S)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-2-carboxylic acid
CID 66264397
3-methyl-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)pyrrolidine-3-carboxylic acid
CID 63146235
(4R)-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144021
1-(4-methylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836281
1-(2,4-dimethylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 110836362
2-methyl-3-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63791778
3-methyl-4-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperazin-2-one
CID 63607075
7-cyclopropyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 84672120
1-(4-propan-2-ylpyrimidine-5-carbonyl)piperidine-4-carboxylic acid
CID 119349556
(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370595

Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid (CID 43354172) is 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid is Cc1c(C(=O)N2CCC(C(=O)O)CC2)cnc2ncnn12.
What is the InChIKey of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is USOWGDPNFFDYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-10(6-14-13-15-7-16-18(8)13)11(19)17-4-2-9(3-5-17)12(20)21/h6-7,9H,2-5H2,1H3,(H,20,21).
What are the key properties of 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid?
1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 289.30 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 1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 43354172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).