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

C19H24N6 — CID 5309160

IUPAC7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(C)nc4nc(C)nn34)CC2)c(C)c1
InChIInChI=1S/C19H24N6/c1-13-5-6-17(14(2)11-13)23-7-9-24(10-8-23)18-12-15(3)20-19-21-16(4)22-25(18)19/h5-6,11-12H,7-10H2,1-4H3
InChIKeySXEFANXRMRSZSV-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.68
Rot. Bonds2

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

7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 5309160) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID5309160
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(C)nc4nc(C)nn34)CC2)c(C)c1
InChIInChI=1S/C19H24N6/c1-13-5-6-17(14(2)11-13)23-7-9-24(10-8-23)18-12-15(3)20-19-21-16(4)22-25(18)19/h5-6,11-12H,7-10H2,1-4H3
InChIKeySXEFANXRMRSZSV-UHFFFAOYSA-N
XLogP2.68
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

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CID 3033538
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CID 1441765
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
(6-Ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-p-tolyl-amine
CID 1429569

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 5309160) is 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(N2CCN(c3cc(C)nc4nc(C)nn34)CC2)c(C)c1.
What is the InChIKey of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is SXEFANXRMRSZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13-5-6-17(14(2)11-13)23-7-9-24(10-8-23)18-12-15(3)20-19-21-16(4)22-25(18)19/h5-6,11-12H,7-10H2,1-4H3.
What are the key properties of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 336.44 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 5309160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).