triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium

C12H24N5O2+ — CID 164942795

IUPACtriethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium
SMILESCC[N+](CC)(CC)CCC(=O)OCCn1cnnn1
InChIInChI=1S/C12H24N5O2/c1-4-17(5-2,6-3)9-7-12(18)19-10-8-16-11-13-14-15-16/h11H,4-10H2,1-3H3/q+1
InChIKeyMJXAGVRSVBBGFP-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.48
Rot. Bonds9

About triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium

triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium (PubChem CID 164942795) has the molecular formula C12H24N5O2+ and a molecular weight of 270.36 g/mol. Its IUPAC name is triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium.

Molecular Properties

Compound Nametriethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium
PubChem CID164942795
Molecular FormulaC12H24N5O2+
Molecular Weight270.36 g/mol
Exact Mass270.19
IUPAC Nametriethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium
SMILESCC[N+](CC)(CC)CCC(=O)OCCn1cnnn1
InChIInChI=1S/C12H24N5O2/c1-4-17(5-2,6-3)9-7-12(18)19-10-8-16-11-13-14-15-16/h11H,4-10H2,1-3H3/q+1
InChIKeyMJXAGVRSVBBGFP-UHFFFAOYSA-N
XLogP0.48
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(tetrazol-1-yl)ethyl carbonate
CID 22074831
ethyl 2-(tetrazol-1-yl)acetate
CID 14415264
[2-(4-fluorophenyl)-2-oxoethyl] 3-(tetrazol-1-yl)propanoate
CID 5301602
ethyl tetrazol-1-ylmethyl carbonate
CID 54219861
[3-[2-[4-(dimethylamino)-1,3,5-triazin-2-yl]ethoxy]-3-oxopropyl]-triethylazanium
CID 164942776
1-ethyltetrazole;sulfane
CID 174767035
ethyl 3-(1,2,4-triazol-4-yl)propanoate
CID 101010858
CID 156641845
CID 156641845
2-(tetrazol-1-yl)ethanesulfinic acid
CID 165455417
N-(4-acetamidophenyl)-3-(tetrazol-1-yl)propanamide
CID 5297376
1-[(3S,4R)-3-amino-4-propylpyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 133118804
(2R)-1-(tetrazol-1-yl)propan-2-ol
CID 130444903

Frequently Asked Questions

What is the IUPAC name of triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium?
The IUPAC name of triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium (CID 164942795) is triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium.
What is the SMILES notation for triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium?
The canonical SMILES for triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium is CC[N+](CC)(CC)CCC(=O)OCCn1cnnn1.
What is the InChIKey of triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium?
The InChIKey is MJXAGVRSVBBGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N5O2/c1-4-17(5-2,6-3)9-7-12(18)19-10-8-16-11-13-14-15-16/h11H,4-10H2,1-3H3/q+1.
What are the key properties of triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium?
triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium has a molecular weight of 270.36 g/mol, XLogP of 0.48, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[3-oxo-3-[2-(tetrazol-1-yl)ethoxy]propyl]azanium is sourced from PubChem (CID 164942795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).