1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine

C17H25N5 — CID 97155555

IUPAC1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
SMILESCc1ccc(C)c(-n2ncnc2[C@@H](C)N2CCN(C)CC2)c1
InChIInChI=1S/C17H25N5/c1-13-5-6-14(2)16(11-13)22-17(18-12-19-22)15(3)21-9-7-20(4)8-10-21/h5-6,11-12,15H,7-10H2,1-4H3/t15-/m1/s1
InChIKeySTJAIDPIAUZONT-OAHLLOKOSA-N
MW299.42 g/mol
LogP2.19
Rot. Bonds3

About 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine

1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine (PubChem CID 97155555) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
PubChem CID97155555
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
SMILESCc1ccc(C)c(-n2ncnc2[C@@H](C)N2CCN(C)CC2)c1
InChIInChI=1S/C17H25N5/c1-13-5-6-14(2)16(11-13)22-17(18-12-19-22)15(3)21-9-7-20(4)8-10-21/h5-6,11-12,15H,7-10H2,1-4H3/t15-/m1/s1
InChIKeySTJAIDPIAUZONT-OAHLLOKOSA-N
XLogP2.19
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine
CID 97155556
N-[[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 107447337
2-[1-(2,4-dimethylphenyl)-5-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-yl]acetamide
CID 97446199
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanol
CID 116860255
2-(2,5-dimethylphenyl)pyrazol-3-amine
CID 43316773
1-(2,5-dimethylphenyl)-5-propan-2-yltriazol-4-amine
CID 79500843
2-(2,5-dimethylphenyl)-2-(4-methylpiperazin-1-yl)acetonitrile
CID 65420308
2-[1-(2,5-dimethylphenyl)-5-propan-2-ylpyrazol-4-yl]ethanamine
CID 82300177
1-[1-(2,5-dimethylphenyl)-5-methyltriazol-4-yl]-N-methylethanamine
CID 43671272
5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
CID 166878634
1-[1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-(2,5-dimethylphenyl)piperazine
CID 3208878
1-[(1R)-1-(1-tert-butyltetrazol-5-yl)-3-methylbutyl]-4-(2,5-dimethylphenyl)piperazine
CID 1443772

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine (CID 97155555) is 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine is Cc1ccc(C)c(-n2ncnc2[C@@H](C)N2CCN(C)CC2)c1.
What is the InChIKey of 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
The InChIKey is STJAIDPIAUZONT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N5/c1-13-5-6-14(2)16(11-13)22-17(18-12-19-22)15(3)21-9-7-20(4)8-10-21/h5-6,11-12,15H,7-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine?
1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine has a molecular weight of 299.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]ethyl]-4-methylpiperazine is sourced from PubChem (CID 97155555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).