5-[3-(oxolan-2-yl)propyl]-2H-tetrazole

C8H14N4O — CID 65162584

IUPAC5-[3-(oxolan-2-yl)propyl]-2H-tetrazole
SMILESC1COC(CCCc2nn[nH]n2)C1
InChIInChI=1S/C8H14N4O/c1(3-7-4-2-6-13-7)5-8-9-11-12-10-8/h7H,1-6H2,(H,9,10,11,12)
InChIKeyDTBDYZASYUMHBQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.70
Rot. Bonds4

About 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole

5-[3-(oxolan-2-yl)propyl]-2H-tetrazole (PubChem CID 65162584) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-(oxolan-2-yl)propyl]-2H-tetrazole
PubChem CID65162584
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-[3-(oxolan-2-yl)propyl]-2H-tetrazole
SMILESC1COC(CCCc2nn[nH]n2)C1
InChIInChI=1S/C8H14N4O/c1(3-7-4-2-6-13-7)5-8-9-11-12-10-8/h7H,1-6H2,(H,9,10,11,12)
InChIKeyDTBDYZASYUMHBQ-UHFFFAOYSA-N
XLogP0.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(oxolan-2-ylmethylsulfanyl)-2H-tetrazole
CID 130639077
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-[3-(oxan-2-yl)propyl]oxane
CID 71182925
2-(3-bromopropyl)oxolane
CID 15783712
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
2-tetradecyloxolane
CID 10683364
2-[5-[4-(oxolan-2-yl)butylsulfanyl]pentyl]oxolane
CID 57157104
(2S)-2-(6-chlorohexyl)oxolane
CID 155932056
5-(oxolan-2-yl)pentanamide
CID 67128385
2-[3-(2-chlorocyclopentyl)propyl]oxolane
CID 65166471
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 65162768
2-[3-fluoro-2-[3-(oxolan-2-yl)propoxy]phenyl]ethanamine
CID 112615284

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole?
The IUPAC name of 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole (CID 65162584) is 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole?
The canonical SMILES for 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole is C1COC(CCCc2nn[nH]n2)C1.
What is the InChIKey of 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole?
The InChIKey is DTBDYZASYUMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1(3-7-4-2-6-13-7)5-8-9-11-12-10-8/h7H,1-6H2,(H,9,10,11,12).
What are the key properties of 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole?
5-[3-(oxolan-2-yl)propyl]-2H-tetrazole has a molecular weight of 182.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxolan-2-yl)propyl]-2H-tetrazole is sourced from PubChem (CID 65162584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).