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

C23H25N5O4 — CID 55677723

IUPAC3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3=NC(C)C(=O)N(c4ccccc4)N3)CC2)c1
InChIInChI=1S/C23H25N5O4/c1-16-21(29)28(18-8-4-3-5-9-18)25-20(24-16)23(31)27-13-11-26(12-14-27)22(30)17-7-6-10-19(15-17)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,24,25)
InChIKeySCAIDCZAGUXHCF-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.32
Rot. Bonds4

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

3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one (PubChem CID 55677723) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one.

Molecular Properties

Compound Name3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
PubChem CID55677723
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one
SMILESCOc1cccc(C(=O)N2CCN(C(=O)C3=NC(C)C(=O)N(c4ccccc4)N3)CC2)c1
InChIInChI=1S/C23H25N5O4/c1-16-21(29)28(18-8-4-3-5-9-18)25-20(24-16)23(31)27-13-11-26(12-14-27)22(30)17-7-6-10-19(15-17)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,24,25)
InChIKeySCAIDCZAGUXHCF-UHFFFAOYSA-N
XLogP1.32
TPSA94.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one with MolForge

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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
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
(3R)-1-[(5S)-5-methyl-6-oxo-1-phenyl-2,5-dihydro-1,2,4-triazine-3-carbonyl]pyrrolidine-3-carboxamide
CID 95580277
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
5-methyl-1-phenyl-3-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]-2,5-dihydro-1,2,4-triazin-6-one
CID 56535793
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181198
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3R)-8-(3-methoxybenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97207184
(3-methoxyphenyl)-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079051
(4-cyclopentylpiperazin-1-yl)-(3-methoxyphenyl)methanone;oxalic acid
CID 17366000
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
(3-methoxyphenyl)-(5-methyl-1,4-diazepan-1-yl)methanone
CID 82244663

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The IUPAC name of 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one (CID 55677723) is 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one.
What is the SMILES notation for 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The canonical SMILES for 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one is COc1cccc(C(=O)N2CCN(C(=O)C3=NC(C)C(=O)N(c4ccccc4)N3)CC2)c1.
What is the InChIKey of 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
The InChIKey is SCAIDCZAGUXHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-16-21(29)28(18-8-4-3-5-9-18)25-20(24-16)23(31)27-13-11-26(12-14-27)22(30)17-7-6-10-19(15-17)32-2/h3-10,15-16H,11-14H2,1-2H3,(H,24,25).
What are the key properties of 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one?
3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one has a molecular weight of 435.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-5-methyl-1-phenyl-2,5-dihydro-1,2,4-triazin-6-one is sourced from PubChem (CID 55677723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).