1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone

C11H13N5O3 — CID 144887538

IUPAC1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCc2nnn(CCO)n2)nc1
InChIInChI=1S/C11H13N5O3/c1-8(18)9-2-3-11(12-6-9)19-7-10-13-15-16(14-10)4-5-17/h2-3,6,17H,4-5,7H2,1H3
InChIKeyNQBSSRLYNNJNEM-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.16
Rot. Bonds6

About 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone

1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone (PubChem CID 144887538) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone
PubChem CID144887538
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCc2nnn(CCO)n2)nc1
InChIInChI=1S/C11H13N5O3/c1-8(18)9-2-3-11(12-6-9)19-7-10-13-15-16(14-10)4-5-17/h2-3,6,17H,4-5,7H2,1H3
InChIKeyNQBSSRLYNNJNEM-UHFFFAOYSA-N
XLogP-0.16
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone (CID 144887538) is 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone is CC(=O)c1ccc(OCc2nnn(CCO)n2)nc1.
What is the InChIKey of 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone?
The InChIKey is NQBSSRLYNNJNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-8(18)9-2-3-11(12-6-9)19-7-10-13-15-16(14-10)4-5-17/h2-3,6,17H,4-5,7H2,1H3.
What are the key properties of 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone?
1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone has a molecular weight of 263.26 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(2-hydroxyethyl)tetrazol-5-yl]methoxy]-3-pyridinyl]ethanone is sourced from PubChem (CID 144887538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).