3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine

C11H13N5 — CID 177070308

IUPAC3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine
SMILESCC(C)(C)c1nnc(-c2cccnc2)nn1
InChIInChI=1S/C11H13N5/c1-11(2,3)10-15-13-9(14-16-10)8-5-4-6-12-7-8/h4-7H,1-3H3
InChIKeyBEWUDWDPPDEUBH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.63
Rot. Bonds1

About 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine

3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine (PubChem CID 177070308) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine
PubChem CID177070308
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine
SMILESCC(C)(C)c1nnc(-c2cccnc2)nn1
InChIInChI=1S/C11H13N5/c1-11(2,3)10-15-13-9(14-16-10)8-5-4-6-12-7-8/h4-7H,1-3H3
InChIKeyBEWUDWDPPDEUBH-UHFFFAOYSA-N
XLogP1.63
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine?
The IUPAC name of 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine (CID 177070308) is 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine.
What is the SMILES notation for 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine?
The canonical SMILES for 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine is CC(C)(C)c1nnc(-c2cccnc2)nn1.
What is the InChIKey of 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine?
The InChIKey is BEWUDWDPPDEUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-11(2,3)10-15-13-9(14-16-10)8-5-4-6-12-7-8/h4-7H,1-3H3.
What are the key properties of 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine?
3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine has a molecular weight of 215.26 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-pyridin-3-yl-1,2,4,5-tetrazine is sourced from PubChem (CID 177070308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).