2-tert-butyl-5-pentyltetrazole

C10H20N4 — CID 69030802

IUPAC2-tert-butyl-5-pentyltetrazole
SMILESCCCCCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-5-6-7-8-9-11-13-14(12-9)10(2,3)4/h5-8H2,1-4H3
InChIKeyLGFDYCRCGKFVMI-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.16
Rot. Bonds4

About 2-tert-butyl-5-pentyltetrazole

2-tert-butyl-5-pentyltetrazole (PubChem CID 69030802) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-tert-butyl-5-pentyltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-pentyltetrazole
PubChem CID69030802
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-tert-butyl-5-pentyltetrazole
SMILESCCCCCc1nnn(C(C)(C)C)n1
InChIInChI=1S/C10H20N4/c1-5-6-7-8-9-11-13-14(12-9)10(2,3)4/h5-8H2,1-4H3
InChIKeyLGFDYCRCGKFVMI-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.16
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-tert-butyl-5-pentyltetrazole?
The IUPAC name of 2-tert-butyl-5-pentyltetrazole (CID 69030802) is 2-tert-butyl-5-pentyltetrazole.
What is the SMILES notation for 2-tert-butyl-5-pentyltetrazole?
The canonical SMILES for 2-tert-butyl-5-pentyltetrazole is CCCCCc1nnn(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-5-pentyltetrazole?
The InChIKey is LGFDYCRCGKFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-5-6-7-8-9-11-13-14(12-9)10(2,3)4/h5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-5-pentyltetrazole?
2-tert-butyl-5-pentyltetrazole has a molecular weight of 196.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-pentyltetrazole is sourced from PubChem (CID 69030802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).