[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone

C23H27N5O2 — CID 42880923

IUPAC[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
SMILESCOCCN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)CC1
InChIInChI=1S/C23H27N5O2/c1-18-7-6-10-20(17-18)28-22(19-8-4-3-5-9-19)24-21(25-28)23(29)27-13-11-26(12-14-27)15-16-30-2/h3-10,17H,11-16H2,1-2H3
InChIKeyFXVKVOFOHKQCSG-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.65
Rot. Bonds6

About [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone

[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone (PubChem CID 42880923) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
PubChem CID42880923
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
SMILESCOCCN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)CC1
InChIInChI=1S/C23H27N5O2/c1-18-7-6-10-20(17-18)28-22(19-8-4-3-5-9-19)24-21(25-28)23(29)27-13-11-26(12-14-27)15-16-30-2/h3-10,17H,11-16H2,1-2H3
InChIKeyFXVKVOFOHKQCSG-UHFFFAOYSA-N
XLogP2.65
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone with MolForge

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Related Compounds

1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 6473283
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
N,N-dimethyl-2-[4-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carbonyl]piperazin-1-yl]acetamide
CID 43020034
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799070
[4-(2-methoxyethyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 16674237
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(1,5-diphenyl-1,2,4-triazol-3-yl)methanone
CID 60508151
N-methyl-1-(3-methylphenyl)-N-(1-methylpyrrolidin-3-yl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692790
azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42880927

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone?
The IUPAC name of [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone (CID 42880923) is [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone is COCCN1CCN(C(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3)n2)CC1.
What is the InChIKey of [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone?
The InChIKey is FXVKVOFOHKQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-18-7-6-10-20(17-18)28-22(19-8-4-3-5-9-19)24-21(25-28)23(29)27-13-11-26(12-14-27)15-16-30-2/h3-10,17H,11-16H2,1-2H3.
What are the key properties of [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone?
[4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone has a molecular weight of 405.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyethyl)piperazin-1-yl]-[1-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 42880923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).