5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole

C17H22N10 — CID 57393942

IUPAC5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole
SMILESc1ccn(-c2nnn(CCCCCCCn3nnc(-n4cccc4)n3)n2)c1
InChIInChI=1S/C17H22N10/c1(2-4-14-26-20-16(18-22-26)24-10-6-7-11-24)3-5-15-27-21-17(19-23-27)25-12-8-9-13-25/h6-13H,1-5,14-15H2
InChIKeyNBKQLVTVWBKSCU-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.89
Rot. Bonds10

About 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole

5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole (PubChem CID 57393942) has the molecular formula C17H22N10 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole.

Molecular Properties

Compound Name5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole
PubChem CID57393942
Molecular FormulaC17H22N10
Molecular Weight366.43 g/mol
Exact Mass366.20
IUPAC Name5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole
SMILESc1ccn(-c2nnn(CCCCCCCn3nnc(-n4cccc4)n3)n2)c1
InChIInChI=1S/C17H22N10/c1(2-4-14-26-20-16(18-22-26)24-10-6-7-11-24)3-5-15-27-21-17(19-23-27)25-12-8-9-13-25/h6-13H,1-5,14-15H2
InChIKeyNBKQLVTVWBKSCU-UHFFFAOYSA-N
XLogP1.89
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.89
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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Related Compounds

5-Pyrrol-1-yl-2-[6-(5-pyrrol-1-yltetrazol-2-yl)hexyl]tetrazole
CID 57393941
5-Pyrrol-1-yl-2-[5-(5-pyrrol-1-yltetrazol-2-yl)pentyl]tetrazole
CID 57390391
1-[Tri(pyrrol-1-yl)methyl]pyrrole
CID 85787956
1-[1,2,2-Tri(pyrrol-1-yl)ethenyl]pyrrole
CID 67907259
N^4^-(Pyrrol-1-yl)-1,2,4-triazole
CID 139060131
1-ethyl-3-[(1Z,3E)-4-pyrrol-1-ylbuta-1,3-dienyl]-1,2,4-triazole
CID 139190196
1-Ethyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
CID 68863734
1-Methyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
CID 68864714
1-[2-Imidazol-1-yl-4-pyrrol-1-yl-6-(1,2,4-triazol-4-yl)heptan-3-yl]-1,2,4-triazole
CID 139335679
2-(2-Ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole
CID 141125518
Ethane;1-methylimidazole;1-methylpyrrole;1-methyl-1,2,4-triazole;4-methyl-1,2,4-triazole
CID 159727256
1-Propyl-1,2,3,3-tetra(pyrrol-1-yl)guanidine
CID 161419974

Frequently Asked Questions

What is the IUPAC name of 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole?
The IUPAC name of 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole (CID 57393942) is 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole.
What is the SMILES notation for 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole?
The canonical SMILES for 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole is c1ccn(-c2nnn(CCCCCCCn3nnc(-n4cccc4)n3)n2)c1.
What is the InChIKey of 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole?
The InChIKey is NBKQLVTVWBKSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N10/c1(2-4-14-26-20-16(18-22-26)24-10-6-7-11-24)3-5-15-27-21-17(19-23-27)25-12-8-9-13-25/h6-13H,1-5,14-15H2.
What are the key properties of 5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole?
5-pyrrol-1-yl-2-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole has a molecular weight of 366.43 g/mol, XLogP of 1.89, 10 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-[7-(5-pyrrol-1-yltetrazol-2-yl)heptyl]tetrazole is sourced from PubChem (CID 57393942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).