1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine

C24H26N6O — CID 73330941

IUPAC1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine
SMILESCc1nc(-c2ccc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C24H26N6O/c1-18-26-24(22-9-8-21(31-22)20-6-4-3-5-7-20)27-30(18)17-19-10-11-25-23(16-19)29-14-12-28(2)13-15-29/h3-11,16H,12-15,17H2,1-2H3
InChIKeyDRYKMHBAPCCADJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.71
Rot. Bonds5

About 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine

1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine (PubChem CID 73330941) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine
PubChem CID73330941
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine
SMILESCc1nc(-c2ccc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1
InChIInChI=1S/C24H26N6O/c1-18-26-24(22-9-8-21(31-22)20-6-4-3-5-7-20)27-30(18)17-19-10-11-25-23(16-19)29-14-12-28(2)13-15-29/h3-11,16H,12-15,17H2,1-2H3
InChIKeyDRYKMHBAPCCADJ-UHFFFAOYSA-N
XLogP3.71
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine?
The IUPAC name of 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine (CID 73330941) is 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine.
What is the SMILES notation for 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine?
The canonical SMILES for 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine is Cc1nc(-c2ccc(-c3ccccc3)o2)nn1Cc1ccnc(N2CCN(C)CC2)c1.
What is the InChIKey of 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine?
The InChIKey is DRYKMHBAPCCADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-18-26-24(22-9-8-21(31-22)20-6-4-3-5-7-20)27-30(18)17-19-10-11-25-23(16-19)29-14-12-28(2)13-15-29/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine?
1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine has a molecular weight of 414.51 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[[5-methyl-3-(5-phenylfuran-2-yl)-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]piperazine is sourced from PubChem (CID 73330941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).