5-methyl-1-pentyltetrazole

C7H14N4 — CID 67274114

IUPAC5-methyl-1-pentyltetrazole
SMILESCCCCCn1nnnc1C
InChIInChI=1S/C7H14N4/c1-3-4-5-6-11-7(2)8-9-10-11/h3-6H2,1-2H3
InChIKeyCWPDBQHIZFPDHI-UHFFFAOYSA-N
MW154.22 g/mol
LogP1.17
Rot. Bonds4

About 5-methyl-1-pentyltetrazole

5-methyl-1-pentyltetrazole (PubChem CID 67274114) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 5-methyl-1-pentyltetrazole.

Molecular Properties

Compound Name5-methyl-1-pentyltetrazole
PubChem CID67274114
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name5-methyl-1-pentyltetrazole
SMILESCCCCCn1nnnc1C
InChIInChI=1S/C7H14N4/c1-3-4-5-6-11-7(2)8-9-10-11/h3-6H2,1-2H3
InChIKeyCWPDBQHIZFPDHI-UHFFFAOYSA-N
XLogP1.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.17
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 5-methyl-1-pentyltetrazole?
The IUPAC name of 5-methyl-1-pentyltetrazole (CID 67274114) is 5-methyl-1-pentyltetrazole.
What is the SMILES notation for 5-methyl-1-pentyltetrazole?
The canonical SMILES for 5-methyl-1-pentyltetrazole is CCCCCn1nnnc1C.
What is the InChIKey of 5-methyl-1-pentyltetrazole?
The InChIKey is CWPDBQHIZFPDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-4-5-6-11-7(2)8-9-10-11/h3-6H2,1-2H3.
What are the key properties of 5-methyl-1-pentyltetrazole?
5-methyl-1-pentyltetrazole has a molecular weight of 154.22 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pentyltetrazole is sourced from PubChem (CID 67274114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).