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

C18H22N6 — CID 6484700

IUPAC7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(C)nc4ncnn34)CC2)c(C)c1
InChIInChI=1S/C18H22N6/c1-13-4-5-16(14(2)10-13)22-6-8-23(9-7-22)17-11-15(3)21-18-19-12-20-24(17)18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyDRIDDDCEVRXGHY-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.38
Rot. Bonds2

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

7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 6484700) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID6484700
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1ccc(N2CCN(c3cc(C)nc4ncnn34)CC2)c(C)c1
InChIInChI=1S/C18H22N6/c1-13-4-5-16(14(2)10-13)22-6-8-23(9-7-22)17-11-15(3)21-18-19-12-20-24(17)18/h4-5,10-12H,6-9H2,1-3H3
InChIKeyDRIDDDCEVRXGHY-UHFFFAOYSA-N
XLogP2.38
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
7-(4-cyclopropylidenepiperidin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 121184229
7-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 47058431
7-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 155976320
7-chloro-4-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]quinoline
CID 31408699
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-(4-ethylsulfonylpiperazin-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956600
7-(1,4-diazepan-1-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 43517134
7-[4-(6-tert-butyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 154582650
5-methyl-7-(4-propan-2-ylsulfonylpiperazin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163347886
5-methyl-7-[4-(5-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 163344393
5-methyl-7-[4-[(2-methylphenyl)-phenylmethyl]piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91956587

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 6484700) is 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1ccc(N2CCN(c3cc(C)nc4ncnn34)CC2)c(C)c1.
What is the InChIKey of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is DRIDDDCEVRXGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-4-5-16(14(2)10-13)22-6-8-23(9-7-22)17-11-15(3)21-18-19-12-20-24(17)18/h4-5,10-12H,6-9H2,1-3H3.
What are the key properties of 7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(2,4-dimethylphenyl)piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 322.42 g/mol, XLogP of 2.38, 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]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 6484700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).