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

C9H17N5O2 — CID 654379

IUPAC4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine
SMILESCOCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C9H17N5O2/c1-15-5-4-14-9(10-11-12-14)8-13-2-6-16-7-3-13/h2-8H2,1H3
InChIKeyKAXXTIACWBRRAT-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.85
Rot. Bonds5

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

4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine (PubChem CID 654379) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine
PubChem CID654379
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine
SMILESCOCCn1nnnc1CN1CCOCC1
InChIInChI=1S/C9H17N5O2/c1-15-5-4-14-9(10-11-12-14)8-13-2-6-16-7-3-13/h2-8H2,1H3
InChIKeyKAXXTIACWBRRAT-UHFFFAOYSA-N
XLogP-0.85
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.85
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?
The IUPAC name of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine (CID 654379) is 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine is COCCn1nnnc1CN1CCOCC1.
What is the InChIKey of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine?
The InChIKey is KAXXTIACWBRRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-15-5-4-14-9(10-11-12-14)8-13-2-6-16-7-3-13/h2-8H2,1H3.
What are the key properties of 4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine?
4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]morpholine has a molecular weight of 227.27 g/mol, XLogP of -0.85, 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 is sourced from PubChem (CID 654379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).