5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

C18H21N5O — CID 46094521

IUPAC5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(N3CCCC(C)C3)n3ncnc3n2)cc1
InChIInChI=1S/C18H21N5O/c1-13-4-3-9-22(11-13)17-10-16(21-18-19-12-20-23(17)18)14-5-7-15(24-2)8-6-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3
InChIKeyZQVWQWKFYFLHKF-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.04
Rot. Bonds3

About 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 46094521) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID46094521
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2cc(N3CCCC(C)C3)n3ncnc3n2)cc1
InChIInChI=1S/C18H21N5O/c1-13-4-3-9-22(11-13)17-10-16(21-18-19-12-20-23(17)18)14-5-7-15(24-2)8-6-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3
InChIKeyZQVWQWKFYFLHKF-UHFFFAOYSA-N
XLogP3.04
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 46094521) is 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is COc1ccc(-c2cc(N3CCCC(C)C3)n3ncnc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is ZQVWQWKFYFLHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-4-3-9-22(11-13)17-10-16(21-18-19-12-20-23(17)18)14-5-7-15(24-2)8-6-14/h5-8,10,12-13H,3-4,9,11H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 323.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-(3-methylpiperidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46094521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).