(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine

C14H23N7O2 — CID 124755660

IUPAC(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
SMILESCOCCn1nnnc1[C@H]1CN(CCn2ccc(C)n2)CCO1
InChIInChI=1S/C14H23N7O2/c1-12-3-4-20(16-12)6-5-19-7-10-23-13(11-19)14-15-17-18-21(14)8-9-22-2/h3-4,13H,5-11H2,1-2H3/t13-/m1/s1
InChIKeyQYAOHWFQMLIOAK-CYBMUJFWSA-N
MW321.39 g/mol
LogP-0.10
Rot. Bonds7

About (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine

(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine (PubChem CID 124755660) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
PubChem CID124755660
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC Name(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine
SMILESCOCCn1nnnc1[C@H]1CN(CCn2ccc(C)n2)CCO1
InChIInChI=1S/C14H23N7O2/c1-12-3-4-20(16-12)6-5-19-7-10-23-13(11-19)14-15-17-18-21(14)8-9-22-2/h3-4,13H,5-11H2,1-2H3/t13-/m1/s1
InChIKeyQYAOHWFQMLIOAK-CYBMUJFWSA-N
XLogP-0.10
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine?
The IUPAC name of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine (CID 124755660) is (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine.
What is the SMILES notation for (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine?
The canonical SMILES for (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine is COCCn1nnnc1[C@H]1CN(CCn2ccc(C)n2)CCO1.
What is the InChIKey of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine?
The InChIKey is QYAOHWFQMLIOAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23N7O2/c1-12-3-4-20(16-12)6-5-19-7-10-23-13(11-19)14-15-17-18-21(14)8-9-22-2/h3-4,13H,5-11H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine?
(2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine has a molecular weight of 321.39 g/mol, XLogP of -0.10, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2-methoxyethyl)tetrazol-5-yl]-4-[2-(3-methylpyrazol-1-yl)ethyl]morpholine is sourced from PubChem (CID 124755660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).