5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H16ClN5O — CID 102918153

IUPAC5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(OCCN2CCCCC2)n2ncnc2n1
InChIInChI=1S/C12H16ClN5O/c13-10-8-11(18-12(16-10)14-9-15-18)19-7-6-17-4-2-1-3-5-17/h8-9H,1-7H2
InChIKeyQLBRSBDTCWPJSJ-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.64
Rot. Bonds4

About 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 102918153) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID102918153
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESClc1cc(OCCN2CCCCC2)n2ncnc2n1
InChIInChI=1S/C12H16ClN5O/c13-10-8-11(18-12(16-10)14-9-15-18)19-7-6-17-4-2-1-3-5-17/h8-9H,1-7H2
InChIKeyQLBRSBDTCWPJSJ-UHFFFAOYSA-N
XLogP1.64
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106194022
7-(azepan-1-yl)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918340
4-chloro-6-(2-piperidin-1-ylethoxy)pyrimidine
CID 61277940
7-(3-bromo-5-fluorophenoxy)-5-chloro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 102918207
1-[2-(2,4,6-trichlorophenoxy)ethyl]piperidine
CID 5336537
2-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrazine
CID 53486086
2-chloro-4-(2-pyrrolidin-1-ylethoxy)pyridine
CID 63778456
5-chloro-6-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 114046391
3,5-dichloro-4-(2-piperidin-1-ylethoxy)aniline
CID 106891018
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 102919122
1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methoxypropan-2-ol
CID 102918881
4,5-dichloro-3,6-bis(2-pyrrolidin-1-ylethoxy)acridine
CID 20553485

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 102918153) is 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Clc1cc(OCCN2CCCCC2)n2ncnc2n1.
What is the InChIKey of 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QLBRSBDTCWPJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c13-10-8-11(18-12(16-10)14-9-15-18)19-7-6-17-4-2-1-3-5-17/h8-9H,1-7H2.
What are the key properties of 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 281.75 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(2-piperidin-1-ylethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 102918153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).