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

C15H18N10 — CID 57390391

IUPAC5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole
SMILESc1ccn(-c2nnn(CCCCCn3nnc(-n4cccc4)n3)n2)c1
InChIInChI=1S/C15H18N10/c1(2-12-24-18-14(16-20-24)22-8-4-5-9-22)3-13-25-19-15(17-21-25)23-10-6-7-11-23/h4-11H,1-3,12-13H2
InChIKeyUQLLXYIUEYOFKJ-UHFFFAOYSA-N
MW338.38 g/mol
LogP1.11
Rot. Bonds8

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

5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole (PubChem CID 57390391) has the molecular formula C15H18N10 and a molecular weight of 338.38 g/mol. Its IUPAC name is 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole.

Molecular Properties

Compound Name5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole
PubChem CID57390391
Molecular FormulaC15H18N10
Molecular Weight338.38 g/mol
Exact Mass338.17
IUPAC Name5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole
SMILESc1ccn(-c2nnn(CCCCCn3nnc(-n4cccc4)n3)n2)c1
InChIInChI=1S/C15H18N10/c1(2-12-24-18-14(16-20-24)22-8-4-5-9-22)3-13-25-19-15(17-21-25)23-10-6-7-11-23/h4-11H,1-3,12-13H2
InChIKeyUQLLXYIUEYOFKJ-UHFFFAOYSA-N
XLogP1.11
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole?
The IUPAC name of 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole (CID 57390391) is 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole.
What is the SMILES notation for 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole?
The canonical SMILES for 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole is c1ccn(-c2nnn(CCCCCn3nnc(-n4cccc4)n3)n2)c1.
What is the InChIKey of 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole?
The InChIKey is UQLLXYIUEYOFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N10/c1(2-12-24-18-14(16-20-24)22-8-4-5-9-22)3-13-25-19-15(17-21-25)23-10-6-7-11-23/h4-11H,1-3,12-13H2.
What are the key properties of 5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole?
5-pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole has a molecular weight of 338.38 g/mol, XLogP of 1.11, 8 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-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole is sourced from PubChem (CID 57390391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).