1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole

C14H16N4 — CID 132581373

IUPAC1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole
SMILESCC(C)C=C=Cc1nnnn1Cc1ccccc1
InChIInChI=1S/C14H16N4/c1-12(2)7-6-10-14-15-16-17-18(14)11-13-8-4-3-5-9-13/h3-5,7-10,12H,11H2,1-2H3
InChIKeyWXGVEMNFBBPNBH-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.55
Rot. Bonds4

About 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole

1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole (PubChem CID 132581373) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole.

Molecular Properties

Compound Name1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole
PubChem CID132581373
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole
SMILESCC(C)C=C=Cc1nnnn1Cc1ccccc1
InChIInChI=1S/C14H16N4/c1-12(2)7-6-10-14-15-16-17-18(14)11-13-8-4-3-5-9-13/h3-5,7-10,12H,11H2,1-2H3
InChIKeyWXGVEMNFBBPNBH-UHFFFAOYSA-N
XLogP2.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-5-(4-methylpenta-1,2-dienyl)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 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole?
The IUPAC name of 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole (CID 132581373) is 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole.
What is the SMILES notation for 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole?
The canonical SMILES for 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole is CC(C)C=C=Cc1nnnn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole?
The InChIKey is WXGVEMNFBBPNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-12(2)7-6-10-14-15-16-17-18(14)11-13-8-4-3-5-9-13/h3-5,7-10,12H,11H2,1-2H3.
What are the key properties of 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole?
1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole has a molecular weight of 240.31 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-methylpenta-1,2-dienyl)tetrazole is sourced from PubChem (CID 132581373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).