6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one

C23H21FN6O3 — CID 91891472

IUPAC6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2nnn3cc(-c4ccc(F)cc4)[nH]c(=O)c23)CC1
InChIInChI=1S/C23H21FN6O3/c1-33-19-5-3-2-4-18(19)28-10-12-29(13-11-28)23(32)20-21-22(31)25-17(14-30(21)27-26-20)15-6-8-16(24)9-7-15/h2-9,14H,10-13H2,1H3,(H,25,31)
InChIKeyIRCAGENLNCRAKK-UHFFFAOYSA-N
MW448.46 g/mol
LogP2.19
Rot. Bonds4

About 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one

6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one (PubChem CID 91891472) has the molecular formula C23H21FN6O3 and a molecular weight of 448.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one
PubChem CID91891472
Molecular FormulaC23H21FN6O3
Molecular Weight448.46 g/mol
Exact Mass448.17
IUPAC Name6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2nnn3cc(-c4ccc(F)cc4)[nH]c(=O)c23)CC1
InChIInChI=1S/C23H21FN6O3/c1-33-19-5-3-2-4-18(19)28-10-12-29(13-11-28)23(32)20-21-22(31)25-17(14-30(21)27-26-20)15-6-8-16(24)9-7-15/h2-9,14H,10-13H2,1H3,(H,25,31)
InChIKeyIRCAGENLNCRAKK-UHFFFAOYSA-N
XLogP2.19
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one (CID 91891472) is 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one is COc1ccccc1N1CCN(C(=O)c2nnn3cc(-c4ccc(F)cc4)[nH]c(=O)c23)CC1.
What is the InChIKey of 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one?
The InChIKey is IRCAGENLNCRAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O3/c1-33-19-5-3-2-4-18(19)28-10-12-29(13-11-28)23(32)20-21-22(31)25-17(14-30(21)27-26-20)15-6-8-16(24)9-7-15/h2-9,14H,10-13H2,1H3,(H,25,31).
What are the key properties of 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one?
6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one has a molecular weight of 448.46 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-5H-triazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 91891472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).