2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole

C11H15N13 — CID 141125518

IUPAC2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole
SMILESCCn1nnc(N2N(c3nnn(C)n3)C(C)=NN2n2cccc2)n1
InChIInChI=1S/C11H15N13/c1-4-21-16-11(13-18-21)23-22(10-12-17-19(3)15-10)9(2)14-24(23)20-7-5-6-8-20/h5-8H,4H2,1-3H3
InChIKeyVFXDNOITJCAVNZ-UHFFFAOYSA-N
MW329.33 g/mol
LogP-0.85
Rot. Bonds4

About 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole

2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole (PubChem CID 141125518) has the molecular formula C11H15N13 and a molecular weight of 329.33 g/mol. Its IUPAC name is 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole.

Molecular Properties

Compound Name2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole
PubChem CID141125518
Molecular FormulaC11H15N13
Molecular Weight329.33 g/mol
Exact Mass329.16
IUPAC Name2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole
SMILESCCn1nnc(N2N(c3nnn(C)n3)C(C)=NN2n2cccc2)n1
InChIInChI=1S/C11H15N13/c1-4-21-16-11(13-18-21)23-22(10-12-17-19(3)15-10)9(2)14-24(23)20-7-5-6-8-20/h5-8H,4H2,1-3H3
InChIKeyVFXDNOITJCAVNZ-UHFFFAOYSA-N
XLogP-0.85
TPSA114.21 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.33
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole 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-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole?
The IUPAC name of 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole (CID 141125518) is 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole.
What is the SMILES notation for 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole?
The canonical SMILES for 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole is CCn1nnc(N2N(c3nnn(C)n3)C(C)=NN2n2cccc2)n1.
What is the InChIKey of 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole?
The InChIKey is VFXDNOITJCAVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N13/c1-4-21-16-11(13-18-21)23-22(10-12-17-19(3)15-10)9(2)14-24(23)20-7-5-6-8-20/h5-8H,4H2,1-3H3.
What are the key properties of 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole?
2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole has a molecular weight of 329.33 g/mol, XLogP of -0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyltetrazol-5-yl)-5-methyl-1-(2-methyltetrazol-5-yl)-3-pyrrol-1-yltetrazole is sourced from PubChem (CID 141125518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).