4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride

C12H24ClN5O2 — CID 6602550

IUPAC4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride
SMILESCOCCn1nnnc1C(C(C)C)N1CCOCC1.Cl
InChIInChI=1S/C12H23N5O2.ClH/c1-10(2)11(16-4-8-19-9-5-16)12-13-14-15-17(12)6-7-18-3;/h10-11H,4-9H2,1-3H3;1H
InChIKeyYYZCIJVJGQTJLK-UHFFFAOYSA-N
MW305.81 g/mol
LogP0.77
Rot. Bonds6

About 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride

4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride (PubChem CID 6602550) has the molecular formula C12H24ClN5O2 and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride
PubChem CID6602550
Molecular FormulaC12H24ClN5O2
Molecular Weight305.81 g/mol
Exact Mass305.16
IUPAC Name4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride
SMILESCOCCn1nnnc1C(C(C)C)N1CCOCC1.Cl
InChIInChI=1S/C12H23N5O2.ClH/c1-10(2)11(16-4-8-19-9-5-16)12-13-14-15-17(12)6-7-18-3;/h10-11H,4-9H2,1-3H3;1H
InChIKeyYYZCIJVJGQTJLK-UHFFFAOYSA-N
XLogP0.77
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride?
The IUPAC name of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride (CID 6602550) is 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride?
The canonical SMILES for 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride is COCCn1nnnc1C(C(C)C)N1CCOCC1.Cl.
What is the InChIKey of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride?
The InChIKey is YYZCIJVJGQTJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2.ClH/c1-10(2)11(16-4-8-19-9-5-16)12-13-14-15-17(12)6-7-18-3;/h10-11H,4-9H2,1-3H3;1H.
What are the key properties of 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride?
4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride has a molecular weight of 305.81 g/mol, XLogP of 0.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-2-methylpropyl]morpholine;hydrochloride is sourced from PubChem (CID 6602550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).