4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline

C21H22N6 — CID 118470951

IUPAC4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline
SMILESCc1cc(C2CCCN(Cc3ccnc4ccccc34)C2)n2ncnc2n1
InChIInChI=1S/C21H22N6/c1-15-11-20(27-21(25-15)23-14-24-27)17-5-4-10-26(13-17)12-16-8-9-22-19-7-3-2-6-18(16)19/h2-3,6-9,11,14,17H,4-5,10,12-13H2,1H3
InChIKeyNWPHEIQEJWYHNL-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.36
Rot. Bonds3

About 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline

4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 118470951) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline
PubChem CID118470951
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline
SMILESCc1cc(C2CCCN(Cc3ccnc4ccccc34)C2)n2ncnc2n1
InChIInChI=1S/C21H22N6/c1-15-11-20(27-21(25-15)23-14-24-27)17-5-4-10-26(13-17)12-16-8-9-22-19-7-3-2-6-18(16)19/h2-3,6-9,11,14,17H,4-5,10,12-13H2,1H3
InChIKeyNWPHEIQEJWYHNL-UHFFFAOYSA-N
XLogP3.36
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline (CID 118470951) is 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline is Cc1cc(C2CCCN(Cc3ccnc4ccccc34)C2)n2ncnc2n1.
What is the InChIKey of 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is NWPHEIQEJWYHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-15-11-20(27-21(25-15)23-14-24-27)17-5-4-10-26(13-17)12-16-8-9-22-19-7-3-2-6-18(16)19/h2-3,6-9,11,14,17H,4-5,10,12-13H2,1H3.
What are the key properties of 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline?
4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 358.45 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 118470951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).