3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine

C6H7F3N4 — CID 176987386

IUPAC3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine
SMILESCC(C)c1nnc(C(F)(F)F)nn1
InChIInChI=1S/C6H7F3N4/c1-3(2)4-10-12-5(13-11-4)6(7,8)9/h3H,1-2H3
InChIKeyGNFWWLWROJZIQZ-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.41
Rot. Bonds1

About 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine

3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine (PubChem CID 176987386) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine.

Molecular Properties

Compound Name3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine
PubChem CID176987386
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine
SMILESCC(C)c1nnc(C(F)(F)F)nn1
InChIInChI=1S/C6H7F3N4/c1-3(2)4-10-12-5(13-11-4)6(7,8)9/h3H,1-2H3
InChIKeyGNFWWLWROJZIQZ-UHFFFAOYSA-N
XLogP1.41
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 177787853
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CID 139269994
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CID 122594279
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CID 146184208
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CID 147793483
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CID 169826080
CID 169826080

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
The IUPAC name of 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine (CID 176987386) is 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine.
What is the SMILES notation for 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
The canonical SMILES for 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine is CC(C)c1nnc(C(F)(F)F)nn1.
What is the InChIKey of 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
The InChIKey is GNFWWLWROJZIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c1-3(2)4-10-12-5(13-11-4)6(7,8)9/h3H,1-2H3.
What are the key properties of 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine?
3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine has a molecular weight of 192.14 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-(trifluoromethyl)-1,2,4,5-tetrazine is sourced from PubChem (CID 176987386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).