3-(1-pentyltetrazol-5-yl)oxolan-2-one

C10H16N4O2 — CID 70692868

IUPAC3-(1-pentyltetrazol-5-yl)oxolan-2-one
SMILESCCCCCn1nnnc1C1CCOC1=O
InChIInChI=1S/C10H16N4O2/c1-2-3-4-6-14-9(11-12-13-14)8-5-7-16-10(8)15/h8H,2-7H2,1H3
InChIKeySFDJQBREWVDGJZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.89
Rot. Bonds5

About 3-(1-pentyltetrazol-5-yl)oxolan-2-one

3-(1-pentyltetrazol-5-yl)oxolan-2-one (PubChem CID 70692868) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-(1-pentyltetrazol-5-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(1-pentyltetrazol-5-yl)oxolan-2-one
PubChem CID70692868
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name3-(1-pentyltetrazol-5-yl)oxolan-2-one
SMILESCCCCCn1nnnc1C1CCOC1=O
InChIInChI=1S/C10H16N4O2/c1-2-3-4-6-14-9(11-12-13-14)8-5-7-16-10(8)15/h8H,2-7H2,1H3
InChIKeySFDJQBREWVDGJZ-UHFFFAOYSA-N
XLogP0.89
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 3-(1-pentyltetrazol-5-yl)oxolan-2-one?
The IUPAC name of 3-(1-pentyltetrazol-5-yl)oxolan-2-one (CID 70692868) is 3-(1-pentyltetrazol-5-yl)oxolan-2-one.
What is the SMILES notation for 3-(1-pentyltetrazol-5-yl)oxolan-2-one?
The canonical SMILES for 3-(1-pentyltetrazol-5-yl)oxolan-2-one is CCCCCn1nnnc1C1CCOC1=O.
What is the InChIKey of 3-(1-pentyltetrazol-5-yl)oxolan-2-one?
The InChIKey is SFDJQBREWVDGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-2-3-4-6-14-9(11-12-13-14)8-5-7-16-10(8)15/h8H,2-7H2,1H3.
What are the key properties of 3-(1-pentyltetrazol-5-yl)oxolan-2-one?
3-(1-pentyltetrazol-5-yl)oxolan-2-one has a molecular weight of 224.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentyltetrazol-5-yl)oxolan-2-one is sourced from PubChem (CID 70692868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).