4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride

C9H17ClN5O2- — CID 53347049

IUPAC4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride
SMILESCOCCn1nnnc1CN1CCOCC1.[Cl-]
InChIInChI=1S/C9H17N5O2.ClH/c1-15-5-4-14-9(10-11-12-14)8-13-2-6-16-7-3-13;/h2-8H2,1H3;1H/p-1
InChIKeyCIGIRQMTVUKHJH-UHFFFAOYSA-M
MW262.72 g/mol
LogP-3.84
Rot. Bonds5

About 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride

4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride (PubChem CID 53347049) has the molecular formula C9H17ClN5O2- and a molecular weight of 262.72 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride
PubChem CID53347049
Molecular FormulaC9H17ClN5O2-
Molecular Weight262.72 g/mol
Exact Mass262.11
IUPAC Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride
SMILESCOCCn1nnnc1CN1CCOCC1.[Cl-]
InChIInChI=1S/C9H17N5O2.ClH/c1-15-5-4-14-9(10-11-12-14)8-13-2-6-16-7-3-13;/h2-8H2,1H3;1H/p-1
InChIKeyCIGIRQMTVUKHJH-UHFFFAOYSA-M
XLogP-3.84
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 5-3.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride?
The IUPAC name of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride (CID 53347049) is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride?
The canonical SMILES for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride is COCCn1nnnc1CN1CCOCC1.[Cl-].
What is the InChIKey of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride?
The InChIKey is CIGIRQMTVUKHJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H17N5O2.ClH/c1-15-5-4-14-9(10-11-12-14)8-13-2-6-16-7-3-13;/h2-8H2,1H3;1H/p-1.
What are the key properties of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride?
4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride has a molecular weight of 262.72 g/mol, XLogP of -3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine chloride is sourced from PubChem (CID 53347049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).