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

C9H14N4O2 — CID 70682317

IUPAC3-(1-butyltetrazol-5-yl)oxolan-2-one
SMILESCCCCn1nnnc1C1CCOC1=O
InChIInChI=1S/C9H14N4O2/c1-2-3-5-13-8(10-11-12-13)7-4-6-15-9(7)14/h7H,2-6H2,1H3
InChIKeyDDLIQJLJCNWEBD-UHFFFAOYSA-N
MW210.24 g/mol
LogP0.50
Rot. Bonds4

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

3-(1-butyltetrazol-5-yl)oxolan-2-one (PubChem CID 70682317) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-(1-butyltetrazol-5-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(1-butyltetrazol-5-yl)oxolan-2-one
PubChem CID70682317
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name3-(1-butyltetrazol-5-yl)oxolan-2-one
SMILESCCCCn1nnnc1C1CCOC1=O
InChIInChI=1S/C9H14N4O2/c1-2-3-5-13-8(10-11-12-13)7-4-6-15-9(7)14/h7H,2-6H2,1H3
InChIKeyDDLIQJLJCNWEBD-UHFFFAOYSA-N
XLogP0.50
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(1-butyltetrazol-5-yl)oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyltetrazol-5-yl)oxolan-2-one?
The IUPAC name of 3-(1-butyltetrazol-5-yl)oxolan-2-one (CID 70682317) is 3-(1-butyltetrazol-5-yl)oxolan-2-one.
What is the SMILES notation for 3-(1-butyltetrazol-5-yl)oxolan-2-one?
The canonical SMILES for 3-(1-butyltetrazol-5-yl)oxolan-2-one is CCCCn1nnnc1C1CCOC1=O.
What is the InChIKey of 3-(1-butyltetrazol-5-yl)oxolan-2-one?
The InChIKey is DDLIQJLJCNWEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-2-3-5-13-8(10-11-12-13)7-4-6-15-9(7)14/h7H,2-6H2,1H3.
What are the key properties of 3-(1-butyltetrazol-5-yl)oxolan-2-one?
3-(1-butyltetrazol-5-yl)oxolan-2-one has a molecular weight of 210.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyltetrazol-5-yl)oxolan-2-one is sourced from PubChem (CID 70682317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).