7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C21H28N6 — CID 133435762

IUPAC7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCC1CN(c2c(C)c(C)nc3ncnn23)CCN1Cc1ccccc1
InChIInChI=1S/C21H28N6/c1-4-8-19-14-26(12-11-25(19)13-18-9-6-5-7-10-18)20-16(2)17(3)24-21-22-15-23-27(20)21/h5-7,9-10,15,19H,4,8,11-14H2,1-3H3
InChIKeyKOQSOTUAONPODO-UHFFFAOYSA-N
MW364.50 g/mol
LogP3.23
Rot. Bonds5

About 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 133435762) has the molecular formula C21H28N6 and a molecular weight of 364.50 g/mol. Its IUPAC name is 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID133435762
Molecular FormulaC21H28N6
Molecular Weight364.50 g/mol
Exact Mass364.24
IUPAC Name7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCCC1CN(c2c(C)c(C)nc3ncnn23)CCN1Cc1ccccc1
InChIInChI=1S/C21H28N6/c1-4-8-19-14-26(12-11-25(19)13-18-9-6-5-7-10-18)20-16(2)17(3)24-21-22-15-23-27(20)21/h5-7,9-10,15,19H,4,8,11-14H2,1-3H3
InChIKeyKOQSOTUAONPODO-UHFFFAOYSA-N
XLogP3.23
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 133435762) is 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is CCCC1CN(c2c(C)c(C)nc3ncnn23)CCN1Cc1ccccc1.
What is the InChIKey of 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is KOQSOTUAONPODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6/c1-4-8-19-14-26(12-11-25(19)13-18-9-6-5-7-10-18)20-16(2)17(3)24-21-22-15-23-27(20)21/h5-7,9-10,15,19H,4,8,11-14H2,1-3H3.
What are the key properties of 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 364.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzyl-3-propylpiperazin-1-yl)-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 133435762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).