1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

C8H13N5O2 — CID 107062135

IUPAC1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-7(10-12-13)4-6(14)8(9)2-3-15-5-8/h2-5,9H2,1H3
InChIKeyOCRRTKUYTCANKQ-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.56
Rot. Bonds3

About 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone

1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107062135) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107062135
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C8H13N5O2/c1-13-11-7(10-12-13)4-6(14)8(9)2-3-15-5-8/h2-5,9H2,1H3
InChIKeyOCRRTKUYTCANKQ-UHFFFAOYSA-N
XLogP-1.56
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-Methyltetrazol-5-yl)-1-(oxolan-3-yl)ethanone
CID 107047127
1-[4-(Methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107061907
1-(4-Amino-3-methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061936
1-(4-Aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062223
2-(2-Methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
CID 107062225
1-[4-(Ethylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone
CID 107062229
1-(4-Aminooxan-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062433
1-(2-Methyloxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063490
(3-Aminooxolan-3-yl)-(2-methyltetrazol-5-yl)methanone
CID 130758289

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107062135) is 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2(N)CCOC2)n1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is OCRRTKUYTCANKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-13-11-7(10-12-13)4-6(14)8(9)2-3-15-5-8/h2-5,9H2,1H3.
What are the key properties of 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 211.22 g/mol, XLogP of -1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107062135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).