[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

C19H22N6O2 — CID 53202640

IUPAC[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2nncn12
InChIInChI=1S/C19H22N6O2/c1-3-15-12-17(21-19-22-20-13-25(15)19)23-8-10-24(11-9-23)18(26)14-4-6-16(27-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyXYKUHAJLHWCLRO-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.66
Rot. Bonds4

About [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 53202640) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID53202640
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCCc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2nncn12
InChIInChI=1S/C19H22N6O2/c1-3-15-12-17(21-19-22-20-13-25(15)19)23-8-10-24(11-9-23)18(26)14-4-6-16(27-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3
InChIKeyXYKUHAJLHWCLRO-UHFFFAOYSA-N
XLogP1.66
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methylphenyl)-[4-(5-propyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202857
(4-chloro-2-methoxyphenyl)-[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202651
[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 53202635
(4-methylphenyl)-[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 53202519
2-(4-bromophenyl)-1-[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]ethanone
CID 53202652
[4-(5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-phenylmethanone
CID 53202521
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
(4-methylphenyl)-[4-([1,2,4]triazolo[4,3-b][1,2,4,5]tetrazin-6-yl)piperazin-1-yl]methanone
CID 127043362
(4-methoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145829
(4-methoxyphenyl)-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342217

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 53202640) is [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is CCc1cc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc2nncn12.
What is the InChIKey of [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is XYKUHAJLHWCLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-15-12-17(21-19-22-20-13-25(15)19)23-8-10-24(11-9-23)18(26)14-4-6-16(27-2)7-5-14/h4-7,12-13H,3,8-11H2,1-2H3.
What are the key properties of [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 366.43 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53202640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).