6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C19H22N6O3 — CID 70743886

IUPAC6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cnc3nc[nH]n3c2=O)CC1(C)C
InChIInChI=1S/C19H22N6O3/c1-19(2)11-23(8-9-24(19)14-6-4-5-7-15(14)28-3)16(26)13-10-20-18-21-12-22-25(18)17(13)27/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,21,22)
InChIKeyBUUCPOASQTXWIR-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.17
Rot. Bonds3

About 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 70743886) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID70743886
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cnc3nc[nH]n3c2=O)CC1(C)C
InChIInChI=1S/C19H22N6O3/c1-19(2)11-23(8-9-24(19)14-6-4-5-7-15(14)28-3)16(26)13-10-20-18-21-12-22-25(18)17(13)27/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,21,22)
InChIKeyBUUCPOASQTXWIR-UHFFFAOYSA-N
XLogP1.17
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 70788614
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 70709938
[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70764465
1-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
CID 70720201
2-methyl-6-(3-methyl-3-phenylpiperidine-1-carbonyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 72894036
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
1'-(2-methoxybenzoyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 53176926
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(pyrrolidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42682738
2-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyphenyl)pyrido[2,3-b]pyrazin-3-one
CID 134797840
2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-4-methyl-1,3-thiazole
CID 70740105
1-(2-methoxyphenyl)-2,2-dimethylpyrrolidin-3-one
CID 117016937
2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(4-methylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 42843948

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 70743886) is 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COc1ccccc1N1CCN(C(=O)c2cnc3nc[nH]n3c2=O)CC1(C)C.
What is the InChIKey of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BUUCPOASQTXWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-19(2)11-23(8-9-24(19)14-6-4-5-7-15(14)28-3)16(26)13-10-20-18-21-12-22-25(18)17(13)27/h4-7,10,12H,8-9,11H2,1-3H3,(H,20,21,22).
What are the key properties of 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 382.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 70743886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).