1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine

C21H23N5 — CID 75431582

IUPAC1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCn1cnnc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H23N5/c1-24-15-22-23-20(24)14-25-10-12-26(13-11-25)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-9,15,21H,10-14H2,1H3
InChIKeyUMJFVGUDXPFYOL-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.70
Rot. Bonds3

About 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine

1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine (PubChem CID 75431582) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
PubChem CID75431582
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCn1cnnc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C21H23N5/c1-24-15-22-23-20(24)14-25-10-12-26(13-11-25)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-9,15,21H,10-14H2,1H3
InChIKeyUMJFVGUDXPFYOL-UHFFFAOYSA-N
XLogP2.70
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The IUPAC name of 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine (CID 75431582) is 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine is Cn1cnnc1CN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The InChIKey is UMJFVGUDXPFYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-24-15-22-23-20(24)14-25-10-12-26(13-11-25)21-18-8-4-2-6-16(18)17-7-3-5-9-19(17)21/h2-9,15,21H,10-14H2,1H3.
What are the key properties of 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine has a molecular weight of 345.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)-4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperazine is sourced from PubChem (CID 75431582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).