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

C16H19N7O — CID 163352936

IUPAC5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC(COc3cnccn3)C2)n2ncnc2n1
InChIInChI=1S/C16H19N7O/c1-12-7-15(23-16(21-12)19-11-20-23)22-6-2-3-13(9-22)10-24-14-8-17-4-5-18-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3
InChIKeyCMOFTBFQCQKGTH-UHFFFAOYSA-N
MW325.38 g/mol
LogP1.52
Rot. Bonds4

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

5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 163352936) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID163352936
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCCC(COc3cnccn3)C2)n2ncnc2n1
InChIInChI=1S/C16H19N7O/c1-12-7-15(23-16(21-12)19-11-20-23)22-6-2-3-13(9-22)10-24-14-8-17-4-5-18-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3
InChIKeyCMOFTBFQCQKGTH-UHFFFAOYSA-N
XLogP1.52
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95323188
4,6-dimethoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163355020
7-[3-(2-bromoethyl)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 114800712
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]ethanol
CID 115657951
5-ethyl-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 163354137
(3S)-N-(cyclohexylmethyl)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 51687450
methyl 2-methyl-2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]propanoate
CID 133444639
6-methoxy-2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 163354942
(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 94173217
2-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinoxaline
CID 163353005
N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
CID 63854044
4-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 163354927

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 163352936) is 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCCC(COc3cnccn3)C2)n2ncnc2n1.
What is the InChIKey of 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is CMOFTBFQCQKGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-12-7-15(23-16(21-12)19-11-20-23)22-6-2-3-13(9-22)10-24-14-8-17-4-5-18-14/h4-5,7-8,11,13H,2-3,6,9-10H2,1H3.
What are the key properties of 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 325.38 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[3-(pyrazin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 163352936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).