2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole

C17H25N7 — CID 126723939

IUPAC2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole
SMILESCC(CCC(CCC(C)n1cnnc1)n1nccn1)c1ccc[nH]1
InChIInChI=1S/C17H25N7/c1-14(17-4-3-9-18-17)5-7-16(24-21-10-11-22-24)8-6-15(2)23-12-19-20-13-23/h3-4,9-16,18H,5-8H2,1-2H3
InChIKeyOEBPXUXMYMRBJS-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.36
Rot. Bonds9

About 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole

2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole (PubChem CID 126723939) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole.

Molecular Properties

Compound Name2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole
PubChem CID126723939
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole
SMILESCC(CCC(CCC(C)n1cnnc1)n1nccn1)c1ccc[nH]1
InChIInChI=1S/C17H25N7/c1-14(17-4-3-9-18-17)5-7-16(24-21-10-11-22-24)8-6-15(2)23-12-19-20-13-23/h3-4,9-16,18H,5-8H2,1-2H3
InChIKeyOEBPXUXMYMRBJS-UHFFFAOYSA-N
XLogP3.36
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole?
The IUPAC name of 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole (CID 126723939) is 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole.
What is the SMILES notation for 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole?
The canonical SMILES for 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole is CC(CCC(CCC(C)n1cnnc1)n1nccn1)c1ccc[nH]1.
What is the InChIKey of 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole?
The InChIKey is OEBPXUXMYMRBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-14(17-4-3-9-18-17)5-7-16(24-21-10-11-22-24)8-6-15(2)23-12-19-20-13-23/h3-4,9-16,18H,5-8H2,1-2H3.
What are the key properties of 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole?
2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole has a molecular weight of 327.44 g/mol, XLogP of 3.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrol-2-yl)-8-(1,2,4-triazol-4-yl)nonan-5-yl]triazole is sourced from PubChem (CID 126723939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).