2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole

C12H20N6 — CID 146144325

IUPAC2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole
SMILESCCc1cn(CCc2nnn(C(C)(C)C)n2)cn1
InChIInChI=1S/C12H20N6/c1-5-10-8-17(9-13-10)7-6-11-14-16-18(15-11)12(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyOKCZFCSCWMMDJO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.43
Rot. Bonds4

About 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole

2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole (PubChem CID 146144325) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole
PubChem CID146144325
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole
SMILESCCc1cn(CCc2nnn(C(C)(C)C)n2)cn1
InChIInChI=1S/C12H20N6/c1-5-10-8-17(9-13-10)7-6-11-14-16-18(15-11)12(2,3)4/h8-9H,5-7H2,1-4H3
InChIKeyOKCZFCSCWMMDJO-UHFFFAOYSA-N
XLogP1.43
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-5-[2-(2-tert-butyltetrazol-5-yl)ethyl]tetrazole
CID 660408
ethane;4-ethyl-1-pentylimidazole
CID 142090904
1,4-dipropylimidazole;ethane
CID 165398933
4-ethyl-1-methylimidazole
CID 20517177
5-ethyl-2-(trichloromethyl)tetrazole
CID 69033862
2-(4-ethylimidazol-1-yl)acetic acid
CID 54402950
N-ethyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-4-yl]ethanamine
CID 112591360
[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
CID 106717322
7-[2-(2-tert-butyltetrazol-5-yl)ethyl]-3-methyl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridine
CID 146139765
(1-butylimidazol-4-yl)methanamine
CID 82467842
[1-(2-methoxyethyl)imidazol-4-yl]methanamine
CID 82467874
2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine
CID 154972092

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole?
The IUPAC name of 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole (CID 146144325) is 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole.
What is the SMILES notation for 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole?
The canonical SMILES for 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole is CCc1cn(CCc2nnn(C(C)(C)C)n2)cn1.
What is the InChIKey of 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole?
The InChIKey is OKCZFCSCWMMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-5-10-8-17(9-13-10)7-6-11-14-16-18(15-11)12(2,3)4/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole?
2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole has a molecular weight of 248.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-[2-(4-ethylimidazol-1-yl)ethyl]tetrazole is sourced from PubChem (CID 146144325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).