N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

C19H22ClN7O — CID 133418014

IUPACN-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
SMILESCCc1cc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H22ClN7O/c1-2-15-11-18(27-19(24-15)21-13-22-27)26-9-7-25(8-10-26)12-17(28)23-16-5-3-14(20)4-6-16/h3-6,11,13H,2,7-10,12H2,1H3,(H,23,28)
InChIKeyOQUYBQIKNVBQFQ-UHFFFAOYSA-N
MW399.89 g/mol
LogP2.10
Rot. Bonds5

About N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide

N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide (PubChem CID 133418014) has the molecular formula C19H22ClN7O and a molecular weight of 399.89 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
PubChem CID133418014
Molecular FormulaC19H22ClN7O
Molecular Weight399.89 g/mol
Exact Mass399.16
IUPAC NameN-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
SMILESCCc1cc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n2ncnc2n1
InChIInChI=1S/C19H22ClN7O/c1-2-15-11-18(27-19(24-15)21-13-22-27)26-9-7-25(8-10-26)12-17(28)23-16-5-3-14(20)4-6-16/h3-6,11,13H,2,7-10,12H2,1H3,(H,23,28)
InChIKeyOQUYBQIKNVBQFQ-UHFFFAOYSA-N
XLogP2.10
TPSA78.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.89
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-methylphenyl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 36957783
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 36958018
N-(2-methylbutan-2-yl)-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 36958947
1-morpholin-4-yl-2-[4-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 126770658
5-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]pyridin-2-amine
CID 133304100
5-ethyl-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46094621
2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide
CID 133312876
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(4-chlorophenyl)acetamide
CID 37406520
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide
CID 78896987
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 8591262
N-(4-chlorophenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 35125248
1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-N-pentan-2-ylpiperidine-3-carboxamide
CID 49431473

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide (CID 133418014) is N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide is CCc1cc(N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)n2ncnc2n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
The InChIKey is OQUYBQIKNVBQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7O/c1-2-15-11-18(27-19(24-15)21-13-22-27)26-9-7-25(8-10-26)12-17(28)23-16-5-3-14(20)4-6-16/h3-6,11,13H,2,7-10,12H2,1H3,(H,23,28).
What are the key properties of N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide?
N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide has a molecular weight of 399.89 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[4-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 133418014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).