2-pentyl-5-propan-2-yltetrazole

C9H18N4 — CID 69030245

IUPAC2-pentyl-5-propan-2-yltetrazole
SMILESCCCCCn1nnc(C(C)C)n1
InChIInChI=1S/C9H18N4/c1-4-5-6-7-13-11-9(8(2)3)10-12-13/h8H,4-7H2,1-3H3
InChIKeyJUTSYBMGBNLAEE-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.99
Rot. Bonds5

About 2-pentyl-5-propan-2-yltetrazole

2-pentyl-5-propan-2-yltetrazole (PubChem CID 69030245) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-pentyl-5-propan-2-yltetrazole.

Molecular Properties

Compound Name2-pentyl-5-propan-2-yltetrazole
PubChem CID69030245
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-pentyl-5-propan-2-yltetrazole
SMILESCCCCCn1nnc(C(C)C)n1
InChIInChI=1S/C9H18N4/c1-4-5-6-7-13-11-9(8(2)3)10-12-13/h8H,4-7H2,1-3H3
InChIKeyJUTSYBMGBNLAEE-UHFFFAOYSA-N
XLogP1.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentyl-5-propan-2-yltetrazole?
The IUPAC name of 2-pentyl-5-propan-2-yltetrazole (CID 69030245) is 2-pentyl-5-propan-2-yltetrazole.
What is the SMILES notation for 2-pentyl-5-propan-2-yltetrazole?
The canonical SMILES for 2-pentyl-5-propan-2-yltetrazole is CCCCCn1nnc(C(C)C)n1.
What is the InChIKey of 2-pentyl-5-propan-2-yltetrazole?
The InChIKey is JUTSYBMGBNLAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-6-7-13-11-9(8(2)3)10-12-13/h8H,4-7H2,1-3H3.
What are the key properties of 2-pentyl-5-propan-2-yltetrazole?
2-pentyl-5-propan-2-yltetrazole has a molecular weight of 182.27 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-5-propan-2-yltetrazole is sourced from PubChem (CID 69030245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).