5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

C12H17N5O — CID 62347901

IUPAC5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC2CCCNC2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-9-5-11(17-12(16-9)14-8-15-17)18-7-10-3-2-4-13-6-10/h5,8,10,13H,2-4,6-7H2,1H3
InChIKeyQNHGBAQKAFTQHW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.81
Rot. Bonds3

About 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 62347901) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID62347901
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(OCC2CCCNC2)n2ncnc2n1
InChIInChI=1S/C12H17N5O/c1-9-5-11(17-12(16-9)14-8-15-17)18-7-10-3-2-4-13-6-10/h5,8,10,13H,2-4,6-7H2,1H3
InChIKeyQNHGBAQKAFTQHW-UHFFFAOYSA-N
XLogP0.81
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-methyl-6-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 97162859
[4-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]cyclohexyl]methanol
CID 106825812
4,6-dimethyl-2-[[(3R)-pyrrolidin-3-yl]methoxy]pyrimidine
CID 94408418
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119872438
4-methoxy-2-methyl-6-(piperidin-3-ylmethyl)pyridine
CID 104680585
3-[(4-chloro-2,6-dimethylphenoxy)methyl]piperidine
CID 15541141
2,4-dimethyl-6-(pyrrolidin-3-ylmethoxy)pyrimidine
CID 62371609
2-methyl-1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]butan-2-amine
CID 64571504
2-[[(3R)-piperidin-3-yl]methoxy]pyrimidine
CID 86318074
7-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 60916273
4,6-dimethyl-2-[(S)-[(3S)-piperidin-3-yl]methylsulfinyl]pyrimidine
CID 97162795
3-[[4-[3,5-dimethyl-4-(piperidin-3-ylmethoxy)phenyl]sulfanyl-2,6-dimethylphenoxy]methyl]piperidine
CID 142119956

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 62347901) is 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(OCC2CCCNC2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is QNHGBAQKAFTQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-5-11(17-12(16-9)14-8-15-17)18-7-10-3-2-4-13-6-10/h5,8,10,13H,2-4,6-7H2,1H3.
What are the key properties of 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 247.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-(piperidin-3-ylmethoxy)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 62347901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).