2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole

C8H12N6 — CID 90028686

IUPAC2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole
SMILESCCn1cc(-c2nnn(CC)n2)cn1
InChIInChI=1S/C8H12N6/c1-3-13-6-7(5-9-13)8-10-12-14(4-2)11-8/h5-6H,3-4H2,1-2H3
InChIKeyTZXHBZQUSGSMHW-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.58
Rot. Bonds3

About 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole

2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole (PubChem CID 90028686) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole.

Molecular Properties

Compound Name2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole
PubChem CID90028686
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole
SMILESCCn1cc(-c2nnn(CC)n2)cn1
InChIInChI=1S/C8H12N6/c1-3-13-6-7(5-9-13)8-10-12-14(4-2)11-8/h5-6H,3-4H2,1-2H3
InChIKeyTZXHBZQUSGSMHW-UHFFFAOYSA-N
XLogP0.58
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole?
The IUPAC name of 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole (CID 90028686) is 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole.
What is the SMILES notation for 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole?
The canonical SMILES for 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole is CCn1cc(-c2nnn(CC)n2)cn1.
What is the InChIKey of 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole?
The InChIKey is TZXHBZQUSGSMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-3-13-6-7(5-9-13)8-10-12-14(4-2)11-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole?
2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole has a molecular weight of 192.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(1-ethylpyrazol-4-yl)tetrazole is sourced from PubChem (CID 90028686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).