1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine

C6H13N5O2 — CID 79506222

IUPAC1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine
SMILESCOCCOCCn1nnnc1N
InChIInChI=1S/C6H13N5O2/c1-12-4-5-13-3-2-11-6(7)8-9-10-11/h2-5H2,1H3,(H2,7,8,10)
InChIKeyRKLDCFJBUKFZKI-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.08
Rot. Bonds6

About 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine

1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine (PubChem CID 79506222) has the molecular formula C6H13N5O2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine
PubChem CID79506222
Molecular FormulaC6H13N5O2
Molecular Weight187.20 g/mol
Exact Mass187.11
IUPAC Name1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine
SMILESCOCCOCCn1nnnc1N
InChIInChI=1S/C6H13N5O2/c1-12-4-5-13-3-2-11-6(7)8-9-10-11/h2-5H2,1H3,(H2,7,8,10)
InChIKeyRKLDCFJBUKFZKI-UHFFFAOYSA-N
XLogP-1.08
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine?
The IUPAC name of 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine (CID 79506222) is 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine?
The canonical SMILES for 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine is COCCOCCn1nnnc1N.
What is the InChIKey of 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine?
The InChIKey is RKLDCFJBUKFZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5O2/c1-12-4-5-13-3-2-11-6(7)8-9-10-11/h2-5H2,1H3,(H2,7,8,10).
What are the key properties of 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine?
1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine has a molecular weight of 187.20 g/mol, XLogP of -1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine is sourced from PubChem (CID 79506222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).