[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone

C21H23N5O2 — CID 6473283

IUPAC[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N5O2/c1-24-12-14-25(15-13-24)21(27)19-22-20(16-6-4-3-5-7-16)26(23-19)17-8-10-18(28-2)11-9-17/h3-11H,12-15H2,1-2H3
InChIKeyRGJXPHLPHPMZJC-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.33
Rot. Bonds4

About [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone

[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 6473283) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID6473283
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C21H23N5O2/c1-24-12-14-25(15-13-24)21(27)19-22-20(16-6-4-3-5-7-16)26(23-19)17-8-10-18(28-2)11-9-17/h3-11H,12-15H2,1-2H3
InChIKeyRGJXPHLPHPMZJC-UHFFFAOYSA-N
XLogP2.33
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 17052391
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918131
[5-(4-methoxyphenyl)-1-phenyl-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 50745397
1-[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazole-3-carbonyl]piperidine-4-carboxamide
CID 17052419
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
[5-(6-methoxy-3-pyridinyl)-1-(4-methylphenyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 23110237
[5-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91238533
azepan-1-yl-[1-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methanone
CID 50745653
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 23110200
[5-[4-(2-aminoethoxy)phenyl]-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-piperidin-1-ylmethanone
CID 91556055
(4-chlorophenyl)-[4-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)piperazin-1-yl]methanone
CID 46555232

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 6473283) is [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccc(-n2nc(C(=O)N3CCN(C)CC3)nc2-c2ccccc2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RGJXPHLPHPMZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-12-14-25(15-13-24)21(27)19-22-20(16-6-4-3-5-7-16)26(23-19)17-8-10-18(28-2)11-9-17/h3-11H,12-15H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone?
[1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 6473283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).