1-(3-methoxypropyl)tetrazole

C5H10N4O — CID 18727526

IUPAC1-(3-methoxypropyl)tetrazole
SMILESCOCCCn1cnnn1
InChIInChI=1S/C5H10N4O/c1-10-4-2-3-9-5-6-7-8-9/h5H,2-4H2,1H3
InChIKeyRGWVNHKXNCADRY-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.29
Rot. Bonds4

About 1-(3-methoxypropyl)tetrazole

1-(3-methoxypropyl)tetrazole (PubChem CID 18727526) has the molecular formula C5H10N4O and a molecular weight of 142.16 g/mol. Its IUPAC name is 1-(3-methoxypropyl)tetrazole.

Molecular Properties

Compound Name1-(3-methoxypropyl)tetrazole
PubChem CID18727526
Molecular FormulaC5H10N4O
Molecular Weight142.16 g/mol
Exact Mass142.09
IUPAC Name1-(3-methoxypropyl)tetrazole
SMILESCOCCCn1cnnn1
InChIInChI=1S/C5H10N4O/c1-10-4-2-3-9-5-6-7-8-9/h5H,2-4H2,1H3
InChIKeyRGWVNHKXNCADRY-UHFFFAOYSA-N
XLogP-0.29
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
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 1-(3-methoxypropyl)tetrazole?
The IUPAC name of 1-(3-methoxypropyl)tetrazole (CID 18727526) is 1-(3-methoxypropyl)tetrazole.
What is the SMILES notation for 1-(3-methoxypropyl)tetrazole?
The canonical SMILES for 1-(3-methoxypropyl)tetrazole is COCCCn1cnnn1.
What is the InChIKey of 1-(3-methoxypropyl)tetrazole?
The InChIKey is RGWVNHKXNCADRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O/c1-10-4-2-3-9-5-6-7-8-9/h5H,2-4H2,1H3.
What are the key properties of 1-(3-methoxypropyl)tetrazole?
1-(3-methoxypropyl)tetrazole has a molecular weight of 142.16 g/mol, XLogP of -0.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)tetrazole is sourced from PubChem (CID 18727526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).