3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine

C7H12N4 — CID 147793483

IUPAC3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine
SMILESCCc1nnc(C(C)C)nn1
InChIInChI=1S/C7H12N4/c1-4-6-8-10-7(5(2)3)11-9-6/h5H,4H2,1-3H3
InChIKeyHKCGTEHSPMTKMV-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.95
Rot. Bonds2

About 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine

3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine (PubChem CID 147793483) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine
PubChem CID147793483
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Name3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine
SMILESCCc1nnc(C(C)C)nn1
InChIInChI=1S/C7H12N4/c1-4-6-8-10-7(5(2)3)11-9-6/h5H,4H2,1-3H3
InChIKeyHKCGTEHSPMTKMV-UHFFFAOYSA-N
XLogP0.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine?
The IUPAC name of 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine (CID 147793483) is 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine?
The canonical SMILES for 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine is CCc1nnc(C(C)C)nn1.
What is the InChIKey of 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine?
The InChIKey is HKCGTEHSPMTKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4/c1-4-6-8-10-7(5(2)3)11-9-6/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine?
3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine has a molecular weight of 152.20 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-propan-2-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 147793483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).