1-(2-methylpropyl)tetrazole

C5H10N4 — CID 22320095

IUPAC1-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1cnnn1
InChIInChI=1S/C5H10N4/c1-5(2)3-9-4-6-7-8-9/h4-5H,3H2,1-2H3
InChIKeyIRHZSUFOQLAHDV-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.33
Rot. Bonds2

About 1-(2-methylpropyl)tetrazole

1-(2-methylpropyl)tetrazole (PubChem CID 22320095) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(2-methylpropyl)tetrazole.

Molecular Properties

Compound Name1-(2-methylpropyl)tetrazole
PubChem CID22320095
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-(2-methylpropyl)tetrazole
SMILESCC(C)Cn1cnnn1
InChIInChI=1S/C5H10N4/c1-5(2)3-9-4-6-7-8-9/h4-5H,3H2,1-2H3
InChIKeyIRHZSUFOQLAHDV-UHFFFAOYSA-N
XLogP0.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropyl)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-(2-methylpropyl)tetrazole?
The IUPAC name of 1-(2-methylpropyl)tetrazole (CID 22320095) is 1-(2-methylpropyl)tetrazole.
What is the SMILES notation for 1-(2-methylpropyl)tetrazole?
The canonical SMILES for 1-(2-methylpropyl)tetrazole is CC(C)Cn1cnnn1.
What is the InChIKey of 1-(2-methylpropyl)tetrazole?
The InChIKey is IRHZSUFOQLAHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(2)3-9-4-6-7-8-9/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)tetrazole?
1-(2-methylpropyl)tetrazole has a molecular weight of 126.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)tetrazole is sourced from PubChem (CID 22320095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).