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

C12H16ClN5O2 — CID 139992119

IUPAC1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(N2CCC(C(=O)O)CC2)n2ncnc2n1.Cl
InChIInChI=1S/C12H15N5O2.ClH/c1-8-6-10(17-12(15-8)13-7-14-17)16-4-2-9(3-5-16)11(18)19;/h6-7,9H,2-5H2,1H3,(H,18,19);1H
InChIKeyKORQMHWCEYHURH-UHFFFAOYSA-N
MW297.75 g/mol
LogP1.16
Rot. Bonds2

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

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride (PubChem CID 139992119) has the molecular formula C12H16ClN5O2 and a molecular weight of 297.75 g/mol. Its IUPAC name is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride
PubChem CID139992119
Molecular FormulaC12H16ClN5O2
Molecular Weight297.75 g/mol
Exact Mass297.10
IUPAC Name1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride
SMILESCc1cc(N2CCC(C(=O)O)CC2)n2ncnc2n1.Cl
InChIInChI=1S/C12H15N5O2.ClH/c1-8-6-10(17-12(15-8)13-7-14-17)16-4-2-9(3-5-16)11(18)19;/h6-7,9H,2-5H2,1H3,(H,18,19);1H
InChIKeyKORQMHWCEYHURH-UHFFFAOYSA-N
XLogP1.16
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride (CID 139992119) is 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride is Cc1cc(N2CCC(C(=O)O)CC2)n2ncnc2n1.Cl.
What is the InChIKey of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride?
The InChIKey is KORQMHWCEYHURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2.ClH/c1-8-6-10(17-12(15-8)13-7-14-17)16-4-2-9(3-5-16)11(18)19;/h6-7,9H,2-5H2,1H3,(H,18,19);1H.
What are the key properties of 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride?
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride has a molecular weight of 297.75 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 139992119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).