5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole

C7H14N4O2 — CID 103180680

IUPAC5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole
SMILESCOCCCOCCc1nn[nH]n1
InChIInChI=1S/C7H14N4O2/c1-12-4-2-5-13-6-3-7-8-10-11-9-7/h2-6H2,1H3,(H,8,9,10,11)
InChIKeyKRCRSOIADWFHMR-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.20
Rot. Bonds7

About 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole

5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole (PubChem CID 103180680) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole
PubChem CID103180680
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole
SMILESCOCCCOCCc1nn[nH]n1
InChIInChI=1S/C7H14N4O2/c1-12-4-2-5-13-6-3-7-8-10-11-9-7/h2-6H2,1H3,(H,8,9,10,11)
InChIKeyKRCRSOIADWFHMR-UHFFFAOYSA-N
XLogP-0.20
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole?
The IUPAC name of 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole (CID 103180680) is 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole?
The canonical SMILES for 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole is COCCCOCCc1nn[nH]n1.
What is the InChIKey of 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole?
The InChIKey is KRCRSOIADWFHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-12-4-2-5-13-6-3-7-8-10-11-9-7/h2-6H2,1H3,(H,8,9,10,11).
What are the key properties of 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole?
5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole has a molecular weight of 186.21 g/mol, XLogP of -0.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxypropoxy)ethyl]-2H-tetrazole is sourced from PubChem (CID 103180680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).