7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C25H28N6 — CID 15990305

IUPAC7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2nc3nc(C)cc(N4CCN(c5cccc(C)c5C)CC4)n3n2)cc1
InChIInChI=1S/C25H28N6/c1-17-8-10-21(11-9-17)24-27-25-26-19(3)16-23(31(25)28-24)30-14-12-29(13-15-30)22-7-5-6-18(2)20(22)4/h5-11,16H,12-15H2,1-4H3
InChIKeyRZDNTTNIKMTTMW-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.35
Rot. Bonds3

About 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine

7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 15990305) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID15990305
Molecular FormulaC25H28N6
Molecular Weight412.54 g/mol
Exact Mass412.24
IUPAC Name7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(-c2nc3nc(C)cc(N4CCN(c5cccc(C)c5C)CC4)n3n2)cc1
InChIInChI=1S/C25H28N6/c1-17-8-10-21(11-9-17)24-27-25-26-19(3)16-23(31(25)28-24)30-14-12-29(13-15-30)22-7-5-6-18(2)20(22)4/h5-11,16H,12-15H2,1-4H3
InChIKeyRZDNTTNIKMTTMW-UHFFFAOYSA-N
XLogP4.35
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 15990305) is 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(-c2nc3nc(C)cc(N4CCN(c5cccc(C)c5C)CC4)n3n2)cc1.
What is the InChIKey of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is RZDNTTNIKMTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-17-8-10-21(11-9-17)24-27-25-26-19(3)16-23(31(25)28-24)30-14-12-29(13-15-30)22-7-5-6-18(2)20(22)4/h5-11,16H,12-15H2,1-4H3.
What are the key properties of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 412.54 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-methyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 15990305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).