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

C11H19N5O2 — CID 107062225

IUPAC2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H19N5O2/c1-3-4-12-9-7-18-6-8(9)10(17)5-11-13-15-16(2)14-11/h8-9,12H,3-7H2,1-2H3
InChIKeyWYCVRSGTUXOTHJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.66
Rot. Bonds6

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

2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone (PubChem CID 107062225) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
PubChem CID107062225
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone
SMILESCCCNC1COCC1C(=O)Cc1nnn(C)n1
InChIInChI=1S/C11H19N5O2/c1-3-4-12-9-7-18-6-8(9)10(17)5-11-13-15-16(2)14-11/h8-9,12H,3-7H2,1-2H3
InChIKeyWYCVRSGTUXOTHJ-UHFFFAOYSA-N
XLogP-0.66
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone (CID 107062225) is 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone is CCCNC1COCC1C(=O)Cc1nnn(C)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
The InChIKey is WYCVRSGTUXOTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-4-12-9-7-18-6-8(9)10(17)5-11-13-15-16(2)14-11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone?
2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone has a molecular weight of 253.31 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-[4-(propylamino)oxolan-3-yl]ethanone is sourced from PubChem (CID 107062225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).