5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole

C16H20N10 — CID 57393941

IUPAC5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole
SMILESc1ccn(-c2nnn(CCCCCCn3nnc(-n4cccc4)n3)n2)c1
InChIInChI=1S/C16H20N10/c1(3-13-25-19-15(17-21-25)23-9-5-6-10-23)2-4-14-26-20-16(18-22-26)24-11-7-8-12-24/h5-12H,1-4,13-14H2
InChIKeyVTZBLGCOFUFHFK-UHFFFAOYSA-N
MW352.41 g/mol
LogP1.50
Rot. Bonds9

About 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole

5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole (PubChem CID 57393941) has the molecular formula C16H20N10 and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole.

Molecular Properties

Compound Name5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole
PubChem CID57393941
Molecular FormulaC16H20N10
Molecular Weight352.41 g/mol
Exact Mass352.19
IUPAC Name5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole
SMILESc1ccn(-c2nnn(CCCCCCn3nnc(-n4cccc4)n3)n2)c1
InChIInChI=1S/C16H20N10/c1(3-13-25-19-15(17-21-25)23-9-5-6-10-23)2-4-14-26-20-16(18-22-26)24-11-7-8-12-24/h5-12H,1-4,13-14H2
InChIKeyVTZBLGCOFUFHFK-UHFFFAOYSA-N
XLogP1.50
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole 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 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole?
The IUPAC name of 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole (CID 57393941) is 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole.
What is the SMILES notation for 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole?
The canonical SMILES for 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole is c1ccn(-c2nnn(CCCCCCn3nnc(-n4cccc4)n3)n2)c1.
What is the InChIKey of 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole?
The InChIKey is VTZBLGCOFUFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N10/c1(3-13-25-19-15(17-21-25)23-9-5-6-10-23)2-4-14-26-20-16(18-22-26)24-11-7-8-12-24/h5-12H,1-4,13-14H2.
What are the key properties of 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole?
5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole has a molecular weight of 352.41 g/mol, XLogP of 1.50, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole is sourced from PubChem (CID 57393941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).