1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid

C14H19N5O2 — CID 103201100

IUPAC1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1nc2nc(N3CCC(C(=O)O)CC3)nn2c(C)c1C
InChIInChI=1S/C14H19N5O2/c1-8-9(2)15-13-16-14(17-19(13)10(8)3)18-6-4-11(5-7-18)12(20)21/h11H,4-7H2,1-3H3,(H,20,21)
InChIKeyBSEYAILNTSHSNQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.35
Rot. Bonds2

About 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid

1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid (PubChem CID 103201100) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid
PubChem CID103201100
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid
SMILESCc1nc2nc(N3CCC(C(=O)O)CC3)nn2c(C)c1C
InChIInChI=1S/C14H19N5O2/c1-8-9(2)15-13-16-14(17-19(13)10(8)3)18-6-4-11(5-7-18)12(20)21/h11H,4-7H2,1-3H3,(H,20,21)
InChIKeyBSEYAILNTSHSNQ-UHFFFAOYSA-N
XLogP1.35
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-(2-ethyl-5,6-dimethylpyrimidin-4-yl)piperidine-4-carboxylic acid
CID 94075608
1-(6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid
CID 175654822
1-(2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-4-carboxylic acid
CID 82555480
7-chloro-6-ethyl-5-methyl-2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 94672009
1-(4-amino-5-methylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 170002097
7-methyl-2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 71563681
1-[4-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]piperidine-4-carboxylic acid
CID 155415211
2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one
CID 84796083
1-(4-methylpiperazin-1-yl)-2-[(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]ethanone
CID 78902862
ethyl 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylate
CID 103201110
1-(5-methoxycarbonylpyrimidin-2-yl)piperidine-4-carboxylic acid
CID 156541249
1-(4-methyl-6-propoxypyrimidin-2-yl)piperidine-4-carboxylic acid
CID 115972892

Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid (CID 103201100) is 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid is Cc1nc2nc(N3CCC(C(=O)O)CC3)nn2c(C)c1C.
What is the InChIKey of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is BSEYAILNTSHSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-8-9(2)15-13-16-14(17-19(13)10(8)3)18-6-4-11(5-7-18)12(20)21/h11H,4-7H2,1-3H3,(H,20,21).
What are the key properties of 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid?
1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 103201100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).