1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone

C9H15N5O2 — CID 107061907

IUPAC1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCNC1COCC1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H15N5O2/c1-10-7-5-16-4-6(7)8(15)3-9-11-13-14(2)12-9/h6-7,10H,3-5H2,1-2H3
InChIKeyJUVODADXVDXAJX-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.44
Rot. Bonds4

About 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone

1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107061907) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107061907
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone
SMILESCNC1COCC1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C9H15N5O2/c1-10-7-5-16-4-6(7)8(15)3-9-11-13-14(2)12-9/h6-7,10H,3-5H2,1-2H3
InChIKeyJUVODADXVDXAJX-UHFFFAOYSA-N
XLogP-1.44
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone (CID 107061907) is 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone is CNC1COCC1C(=O)Cc1nnn(C)n1.
What is the InChIKey of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is JUVODADXVDXAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-10-7-5-16-4-6(7)8(15)3-9-11-13-14(2)12-9/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone?
1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 225.25 g/mol, XLogP of -1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)oxolan-3-yl]-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107061907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).