2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

C13H17N5O2 — CID 115055053

IUPAC2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1nc2nc(C(=O)O)cc(N3CCCCC3)n2n1
InChIInChI=1S/C13H17N5O2/c1-2-10-15-13-14-9(12(19)20)8-11(18(13)16-10)17-6-4-3-5-7-17/h8H,2-7H2,1H3,(H,19,20)
InChIKeyHFWUONNCZXWCCJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.38
Rot. Bonds3

About 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid

2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 115055053) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID115055053
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1nc2nc(C(=O)O)cc(N3CCCCC3)n2n1
InChIInChI=1S/C13H17N5O2/c1-2-10-15-13-14-9(12(19)20)8-11(18(13)16-10)17-6-4-3-5-7-17/h8H,2-7H2,1H3,(H,19,20)
InChIKeyHFWUONNCZXWCCJ-UHFFFAOYSA-N
XLogP1.38
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-piperidin-1-yl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055049
7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115039333
5-methyl-7-piperidin-1-yl-2-[(4-propylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202344
2-[(4-butylpiperazin-1-yl)methyl]-5-methyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202353
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
7-(azepan-1-yl)-5-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202439
2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
ethyl 1-[[7-(4-ethylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methyl]piperidine-3-carboxylate
CID 53202420
7-morpholin-4-yl-2-propan-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 115055006
6-chloro-2-piperidin-1-ylpyrimidine-4-carboxylic acid
CID 83852710
7-chloro-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 84679300
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-methyl-7-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202333

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 115055053) is 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is CCc1nc2nc(C(=O)O)cc(N3CCCCC3)n2n1.
What is the InChIKey of 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is HFWUONNCZXWCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-10-15-13-14-9(12(19)20)8-11(18(13)16-10)17-6-4-3-5-7-17/h8H,2-7H2,1H3,(H,19,20).
What are the key properties of 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 275.31 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115055053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).