5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one

C24H27N5O2 — CID 76863033

IUPAC5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one
SMILESCC1N=C(C(=O)N2CCN(CC=Cc3ccccc3)CC2)NN(c2ccccc2)C1=O
InChIInChI=1S/C24H27N5O2/c1-19-23(30)29(21-12-6-3-7-13-21)26-22(25-19)24(31)28-17-15-27(16-18-28)14-8-11-20-9-4-2-5-10-20/h2-13,19H,14-18H2,1H3,(H,25,26)
InChIKeySLGWSPDSKYNZSP-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.18
Rot. Bonds5

About 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one

5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one (PubChem CID 76863033) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one
PubChem CID76863033
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one
SMILESCC1N=C(C(=O)N2CCN(CC=Cc3ccccc3)CC2)NN(c2ccccc2)C1=O
InChIInChI=1S/C24H27N5O2/c1-19-23(30)29(21-12-6-3-7-13-21)26-22(25-19)24(31)28-17-15-27(16-18-28)14-8-11-20-9-4-2-5-10-20/h2-13,19H,14-18H2,1H3,(H,25,26)
InChIKeySLGWSPDSKYNZSP-UHFFFAOYSA-N
XLogP2.18
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55990598
(5R)-3-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 39950771
5-methyl-3-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55678727
(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide
CID 95580277
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
3-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
CID 55602302
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484
2-cyclopropyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 110414400
3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 3974389
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
(2-methylphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 755573
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one?
The IUPAC name of 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one (CID 76863033) is 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one is CC1N=C(C(=O)N2CCN(CC=Cc3ccccc3)CC2)NN(c2ccccc2)C1=O.
What is the InChIKey of 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one?
The InChIKey is SLGWSPDSKYNZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-19-23(30)29(21-12-6-3-7-13-21)26-22(25-19)24(31)28-17-15-27(16-18-28)14-8-11-20-9-4-2-5-10-20/h2-13,19H,14-18H2,1H3,(H,25,26).
What are the key properties of 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one?
5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one has a molecular weight of 417.51 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-3-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 76863033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).