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

C19H24N6 — CID 122174844

IUPAC7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(C)c3C)CC2)n2nc(C)nc2n1
InChIInChI=1S/C19H24N6/c1-13-6-5-7-17(15(13)3)23-8-10-24(11-9-23)18-12-14(2)20-19-21-16(4)22-25(18)19/h5-7,12H,8-11H2,1-4H3
InChIKeyWDUZLXDDDCDDTO-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.68
Rot. Bonds2

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

7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 122174844) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID122174844
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(c3cccc(C)c3C)CC2)n2nc(C)nc2n1
InChIInChI=1S/C19H24N6/c1-13-6-5-7-17(15(13)3)23-8-10-24(11-9-23)18-12-14(2)20-19-21-16(4)22-25(18)19/h5-7,12H,8-11H2,1-4H3
InChIKeyWDUZLXDDDCDDTO-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-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

7-(4-ethylpiperazin-1-yl)-5-methyl-2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53202426
5-methyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4907583
ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
CID 5309655
7-(azepan-1-yl)-5-methyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 23608612
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 110383480
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethyl-2-methylpyrimidin-4-amine
CID 112875379
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,6-dimethyl-N-phenylpyrimidin-4-amine
CID 112923593
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 112923590
7-[4-(2-chlorophenyl)-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 122154137
7-(4-benzylpiperazin-1-yl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 4911740
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-ethyl-5-methylpyrazol-3-yl)methanone
CID 110681721
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112923592

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 122174844) is 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(c3cccc(C)c3C)CC2)n2nc(C)nc2n1.
What is the InChIKey of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WDUZLXDDDCDDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-13-6-5-7-17(15(13)3)23-8-10-24(11-9-23)18-12-14(2)20-19-21-16(4)22-25(18)19/h5-7,12H,8-11H2,1-4H3.
What are the key properties of 7-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
7-[4-(2,3-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-(2,3-dimethylphenyl)piperazin-1-yl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 122174844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).