1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

C24H28N6O2 — CID 56520497

IUPAC1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C24H28N6O2/c1-17(2)20-9-4-5-10-21(20)30-18(3)26-23(27-30)24(32)29-14-12-28(13-15-29)22(31)16-19-8-6-7-11-25-19/h4-11,17H,12-16H2,1-3H3
InChIKeyKAZPLQYHYLYDIO-UHFFFAOYSA-N
MW432.53 g/mol
LogP2.62
Rot. Bonds5

About 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 56520497) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID56520497
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCc1nc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)nn1-c1ccccc1C(C)C
InChIInChI=1S/C24H28N6O2/c1-17(2)20-9-4-5-10-21(20)30-18(3)26-23(27-30)24(32)29-14-12-28(13-15-29)22(31)16-19-8-6-7-11-25-19/h4-11,17H,12-16H2,1-3H3
InChIKeyKAZPLQYHYLYDIO-UHFFFAOYSA-N
XLogP2.62
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[1-(2-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56522290
2-[methyl-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119172044
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119171359
N-[(1S)-1-cyclopropylethyl]-N,5-dimethyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carboxamide
CID 94821507
2-[cyclopropyl-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]acetic acid
CID 119194888
1-[4-[1-(2-chlorophenyl)pyrazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521395
1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 51134139
1-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521793
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
3-(2-methylpropoxy)-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56801224
(4R)-3-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 95349592
(4S)-3-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazolidine-4-carboxamide
CID 95349591

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone (CID 56520497) is 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is Cc1nc(C(=O)N2CCN(C(=O)Cc3ccccn3)CC2)nn1-c1ccccc1C(C)C.
What is the InChIKey of 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is KAZPLQYHYLYDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17(2)20-9-4-5-10-21(20)30-18(3)26-23(27-30)24(32)29-14-12-28(13-15-29)22(31)16-19-8-6-7-11-25-19/h4-11,17H,12-16H2,1-3H3.
What are the key properties of 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 432.53 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 56520497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).