1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone

C7H11N5O2 — CID 19578944

IUPAC1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCOCC1
InChIInChI=1S/C7H11N5O2/c13-7(5-12-6-8-9-10-12)11-1-3-14-4-2-11/h6H,1-5H2
InChIKeyFBJCAFIMESJLBK-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.47
Rot. Bonds2

About 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone

1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone (PubChem CID 19578944) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone
PubChem CID19578944
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC Name1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCOCC1
InChIInChI=1S/C7H11N5O2/c13-7(5-12-6-8-9-10-12)11-1-3-14-4-2-11/h6H,1-5H2
InChIKeyFBJCAFIMESJLBK-UHFFFAOYSA-N
XLogP-1.47
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone (CID 19578944) is 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone?
The InChIKey is FBJCAFIMESJLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c13-7(5-12-6-8-9-10-12)11-1-3-14-4-2-11/h6H,1-5H2.
What are the key properties of 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone?
1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone has a molecular weight of 197.20 g/mol, XLogP of -1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 19578944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).