5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole

C18H16N10 — CID 57393905

IUPAC5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole
SMILESc1ccn(-c2nnn(Cc3ccc(Cn4nnc(-n5cccc5)n4)cc3)n2)c1
InChIInChI=1S/C18H16N10/c1-2-10-25(9-1)17-19-23-27(21-17)13-15-5-7-16(8-6-15)14-28-22-18(20-24-28)26-11-3-4-12-26/h1-12H,13-14H2
InChIKeyXYOBUAIZMDNAQH-UHFFFAOYSA-N
MW372.40 g/mol
LogP1.34
Rot. Bonds6

About 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole

5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole (PubChem CID 57393905) has the molecular formula C18H16N10 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole.

Molecular Properties

Compound Name5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole
PubChem CID57393905
Molecular FormulaC18H16N10
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole
SMILESc1ccn(-c2nnn(Cc3ccc(Cn4nnc(-n5cccc5)n4)cc3)n2)c1
InChIInChI=1S/C18H16N10/c1-2-10-25(9-1)17-19-23-27(21-17)13-15-5-7-16(8-6-15)14-28-22-18(20-24-28)26-11-3-4-12-26/h1-12H,13-14H2
InChIKeyXYOBUAIZMDNAQH-UHFFFAOYSA-N
XLogP1.34
TPSA97.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]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-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole?
The IUPAC name of 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole (CID 57393905) is 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole.
What is the SMILES notation for 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole?
The canonical SMILES for 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole is c1ccn(-c2nnn(Cc3ccc(Cn4nnc(-n5cccc5)n4)cc3)n2)c1.
What is the InChIKey of 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole?
The InChIKey is XYOBUAIZMDNAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N10/c1-2-10-25(9-1)17-19-23-27(21-17)13-15-5-7-16(8-6-15)14-28-22-18(20-24-28)26-11-3-4-12-26/h1-12H,13-14H2.
What are the key properties of 5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole?
5-pyrrol-1-yl-2-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole has a molecular weight of 372.40 g/mol, XLogP of 1.34, 6 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-[[4-[(5-pyrrol-1-yltetrazol-2-yl)methyl]phenyl]methyl]tetrazole is sourced from PubChem (CID 57393905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).