1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid

C12H15N5O2 — CID 6625775

IUPAC1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)n2cnnc2n1
InChIInChI=1S/C12H15N5O2/c1-8-5-10(17-7-13-15-12(17)14-8)16-4-2-3-9(6-16)11(18)19/h5,7,9H,2-4,6H2,1H3,(H,18,19)
InChIKeyIKECPOJZMIGCNE-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.73
Rot. Bonds2

About 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid

1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid (PubChem CID 6625775) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid
PubChem CID6625775
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)n2cnnc2n1
InChIInChI=1S/C12H15N5O2/c1-8-5-10(17-7-13-15-12(17)14-8)16-4-2-3-9(6-16)11(18)19/h5,7,9H,2-4,6H2,1H3,(H,18,19)
InChIKeyIKECPOJZMIGCNE-UHFFFAOYSA-N
XLogP0.73
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid (CID 6625775) is 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid is Cc1cc(N2CCCC(C(=O)O)C2)n2cnnc2n1.
What is the InChIKey of 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid?
The InChIKey is IKECPOJZMIGCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-5-10(17-7-13-15-12(17)14-8)16-4-2-3-9(6-16)11(18)19/h5,7,9H,2-4,6H2,1H3,(H,18,19).
What are the key properties of 1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid?
1-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.73, 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[4,3-a]pyrimidin-5-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 6625775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).