5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

C21H24N6 — CID 44608769

IUPAC5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCn1cc(-c2ccccc2)nc1CCc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C21H24N6/c1-4-12-26-14-18(17-8-6-5-7-9-17)23-20(26)11-10-19-24-21-22-15(2)13-16(3)27(21)25-19/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyPRMASZAWERZHDU-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.80
Rot. Bonds6

About 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 44608769) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID44608769
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCn1cc(-c2ccccc2)nc1CCc1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C21H24N6/c1-4-12-26-14-18(17-8-6-5-7-9-17)23-20(26)11-10-19-24-21-22-15(2)13-16(3)27(21)25-19/h5-9,13-14H,4,10-12H2,1-3H3
InChIKeyPRMASZAWERZHDU-UHFFFAOYSA-N
XLogP3.80
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 44608769) is 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is CCCn1cc(-c2ccccc2)nc1CCc1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is PRMASZAWERZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-4-12-26-14-18(17-8-6-5-7-9-17)23-20(26)11-10-19-24-21-22-15(2)13-16(3)27(21)25-19/h5-9,13-14H,4,10-12H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine?
5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 360.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(4-phenyl-1-propylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 44608769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).