2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine

C13H20N6O — CID 82692163

IUPAC2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
SMILESCc1cc(N2CCC(OCCN)CC2)n2ncnc2n1
InChIInChI=1S/C13H20N6O/c1-10-8-12(19-13(17-10)15-9-16-19)18-5-2-11(3-6-18)20-7-4-14/h8-9,11H,2-7,14H2,1H3
InChIKeyRLBAOYSGYDIWHT-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.38
Rot. Bonds4

About 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine

2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine (PubChem CID 82692163) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine.

Molecular Properties

Compound Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
PubChem CID82692163
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine
SMILESCc1cc(N2CCC(OCCN)CC2)n2ncnc2n1
InChIInChI=1S/C13H20N6O/c1-10-8-12(19-13(17-10)15-9-16-19)18-5-2-11(3-6-18)20-7-4-14/h8-9,11H,2-7,14H2,1H3
InChIKeyRLBAOYSGYDIWHT-UHFFFAOYSA-N
XLogP0.38
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
5-methyl-7-(4-pyrazolo[1,5-a]pyrimidin-5-yloxypiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163354956
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-1-amine
CID 63338782
3-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]propan-1-amine
CID 43517160
[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine
CID 115963984
N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]ethanamine
CID 63853537
7-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 97221913
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
CID 115657951
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133406480

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine?
The IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine (CID 82692163) is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine.
What is the SMILES notation for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine?
The canonical SMILES for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine is Cc1cc(N2CCC(OCCN)CC2)n2ncnc2n1.
What is the InChIKey of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine?
The InChIKey is RLBAOYSGYDIWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10-8-12(19-13(17-10)15-9-16-19)18-5-2-11(3-6-18)20-7-4-14/h8-9,11H,2-7,14H2,1H3.
What are the key properties of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine?
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine has a molecular weight of 276.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]oxyethanamine is sourced from PubChem (CID 82692163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).