5-(2-propan-2-yloxyethyl)-2H-tetrazole

C6H12N4O — CID 23381708

IUPAC5-(2-propan-2-yloxyethyl)-2H-tetrazole
SMILESCC(C)OCCc1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-5(2)11-4-3-6-7-9-10-8-6/h5H,3-4H2,1-2H3,(H,7,8,9,10)
InChIKeyXCXFSUSXMFMQME-UHFFFAOYSA-N
MW156.19 g/mol
LogP0.17
Rot. Bonds4

About 5-(2-propan-2-yloxyethyl)-2H-tetrazole

5-(2-propan-2-yloxyethyl)-2H-tetrazole (PubChem CID 23381708) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-(2-propan-2-yloxyethyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-propan-2-yloxyethyl)-2H-tetrazole
PubChem CID23381708
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name5-(2-propan-2-yloxyethyl)-2H-tetrazole
SMILESCC(C)OCCc1nn[nH]n1
InChIInChI=1S/C6H12N4O/c1-5(2)11-4-3-6-7-9-10-8-6/h5H,3-4H2,1-2H3,(H,7,8,9,10)
InChIKeyXCXFSUSXMFMQME-UHFFFAOYSA-N
XLogP0.17
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-propan-2-yloxyethyl)-2H-tetrazole with MolForge

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

Launch Full Analysis

Related Compounds

1-(1H-1,2,3,4-tetrazol-5-yl)propan-2-ol
CID 23359140
5-(2-methoxyethyl)-2H-tetrazole
CID 323182
5-[2-(Prop-2-yn-1-yloxy)ethyl]-1h-tetrazole
CID 129757083
5-[2-(2,2-difluoroethoxy)ethyl]-2H-tetrazole
CID 103145882
Cyizzjuneaqvrg-uhfffaoysa-
CID 23272192
5-(2-ethoxyethyl)-2H-tetrazole
CID 43457271
5-methyl-2H-tetrazole;propan-2-yl acetate
CID 53631271
2-methoxypropane;5-methyl-2H-tetrazole
CID 53749313
5-(3-methoxypropyl)-2H-tetrazole
CID 57556055
5-(propan-2-yloxymethyl)-2H-tetrazole
CID 58759939
5-(3-propan-2-yloxypropyl)-2H-tetrazole
CID 59323563
5-(3-ethoxypropyl)-2H-tetrazole
CID 59781409

Frequently Asked Questions

What is the IUPAC name of 5-(2-propan-2-yloxyethyl)-2H-tetrazole?
The IUPAC name of 5-(2-propan-2-yloxyethyl)-2H-tetrazole (CID 23381708) is 5-(2-propan-2-yloxyethyl)-2H-tetrazole.
What is the SMILES notation for 5-(2-propan-2-yloxyethyl)-2H-tetrazole?
The canonical SMILES for 5-(2-propan-2-yloxyethyl)-2H-tetrazole is CC(C)OCCc1nn[nH]n1.
What is the InChIKey of 5-(2-propan-2-yloxyethyl)-2H-tetrazole?
The InChIKey is XCXFSUSXMFMQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-5(2)11-4-3-6-7-9-10-8-6/h5H,3-4H2,1-2H3,(H,7,8,9,10).
What are the key properties of 5-(2-propan-2-yloxyethyl)-2H-tetrazole?
5-(2-propan-2-yloxyethyl)-2H-tetrazole has a molecular weight of 156.19 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-propan-2-yloxyethyl)-2H-tetrazole is sourced from PubChem (CID 23381708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).