3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine

C14H9F3N6 — CID 121289152

IUPAC3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine
SMILESCc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cn3)nn2)nc1
InChIInChI=1S/C14H9F3N6/c1-8-2-4-10(18-6-8)12-20-22-13(23-21-12)11-5-3-9(7-19-11)14(15,16)17/h2-7H,1H3
InChIKeyVEWNQSRNVABZPM-UHFFFAOYSA-N
MW318.26 g/mol
LogP2.72
Rot. Bonds2

About 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine

3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine (PubChem CID 121289152) has the molecular formula C14H9F3N6 and a molecular weight of 318.26 g/mol. Its IUPAC name is 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine
PubChem CID121289152
Molecular FormulaC14H9F3N6
Molecular Weight318.26 g/mol
Exact Mass318.08
IUPAC Name3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine
SMILESCc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cn3)nn2)nc1
InChIInChI=1S/C14H9F3N6/c1-8-2-4-10(18-6-8)12-20-22-13(23-21-12)11-5-3-9(7-19-11)14(15,16)17/h2-7H,1H3
InChIKeyVEWNQSRNVABZPM-UHFFFAOYSA-N
XLogP2.72
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine?
The IUPAC name of 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine (CID 121289152) is 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine.
What is the SMILES notation for 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine?
The canonical SMILES for 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine is Cc1ccc(-c2nnc(-c3ccc(C(F)(F)F)cn3)nn2)nc1.
What is the InChIKey of 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine?
The InChIKey is VEWNQSRNVABZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N6/c1-8-2-4-10(18-6-8)12-20-22-13(23-21-12)11-5-3-9(7-19-11)14(15,16)17/h2-7H,1H3.
What are the key properties of 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine?
3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine has a molecular weight of 318.26 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-pyridinyl)-6-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4,5-tetrazine is sourced from PubChem (CID 121289152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).