5-hexyl-2-propan-2-yltetrazole

C10H20N4 — CID 69030186

IUPAC5-hexyl-2-propan-2-yltetrazole
SMILESCCCCCCc1nnn(C(C)C)n1
InChIInChI=1S/C10H20N4/c1-4-5-6-7-8-10-11-13-14(12-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyPFZNLUPFKHTOOQ-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.38
Rot. Bonds6

About 5-hexyl-2-propan-2-yltetrazole

5-hexyl-2-propan-2-yltetrazole (PubChem CID 69030186) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 5-hexyl-2-propan-2-yltetrazole.

Molecular Properties

Compound Name5-hexyl-2-propan-2-yltetrazole
PubChem CID69030186
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name5-hexyl-2-propan-2-yltetrazole
SMILESCCCCCCc1nnn(C(C)C)n1
InChIInChI=1S/C10H20N4/c1-4-5-6-7-8-10-11-13-14(12-10)9(2)3/h9H,4-8H2,1-3H3
InChIKeyPFZNLUPFKHTOOQ-UHFFFAOYSA-N
XLogP2.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-hexyl-2-propan-2-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 5-hexyl-2-propan-2-yltetrazole?
The IUPAC name of 5-hexyl-2-propan-2-yltetrazole (CID 69030186) is 5-hexyl-2-propan-2-yltetrazole.
What is the SMILES notation for 5-hexyl-2-propan-2-yltetrazole?
The canonical SMILES for 5-hexyl-2-propan-2-yltetrazole is CCCCCCc1nnn(C(C)C)n1.
What is the InChIKey of 5-hexyl-2-propan-2-yltetrazole?
The InChIKey is PFZNLUPFKHTOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-5-6-7-8-10-11-13-14(12-10)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 5-hexyl-2-propan-2-yltetrazole?
5-hexyl-2-propan-2-yltetrazole has a molecular weight of 196.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-2-propan-2-yltetrazole is sourced from PubChem (CID 69030186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).