1-pentyl-5-propan-2-yltetrazole

C9H18N4 — CID 69031680

IUPAC1-pentyl-5-propan-2-yltetrazole
SMILESCCCCCn1nnnc1C(C)C
InChIInChI=1S/C9H18N4/c1-4-5-6-7-13-9(8(2)3)10-11-12-13/h8H,4-7H2,1-3H3
InChIKeyYQUFWHIGKYAUKQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.99
Rot. Bonds5

About 1-pentyl-5-propan-2-yltetrazole

1-pentyl-5-propan-2-yltetrazole (PubChem CID 69031680) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-pentyl-5-propan-2-yltetrazole.

Molecular Properties

Compound Name1-pentyl-5-propan-2-yltetrazole
PubChem CID69031680
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-pentyl-5-propan-2-yltetrazole
SMILESCCCCCn1nnnc1C(C)C
InChIInChI=1S/C9H18N4/c1-4-5-6-7-13-9(8(2)3)10-11-12-13/h8H,4-7H2,1-3H3
InChIKeyYQUFWHIGKYAUKQ-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 1-pentyl-5-propan-2-yltetrazole?
The IUPAC name of 1-pentyl-5-propan-2-yltetrazole (CID 69031680) is 1-pentyl-5-propan-2-yltetrazole.
What is the SMILES notation for 1-pentyl-5-propan-2-yltetrazole?
The canonical SMILES for 1-pentyl-5-propan-2-yltetrazole is CCCCCn1nnnc1C(C)C.
What is the InChIKey of 1-pentyl-5-propan-2-yltetrazole?
The InChIKey is YQUFWHIGKYAUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-5-6-7-13-9(8(2)3)10-11-12-13/h8H,4-7H2,1-3H3.
What are the key properties of 1-pentyl-5-propan-2-yltetrazole?
1-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 1-pentyl-5-propan-2-yltetrazole is sourced from PubChem (CID 69031680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).