4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole

C7H10F3N3 — CID 69383502

IUPAC4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole
SMILESCC(C)Cc1n[nH]nc1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(2)3-5-6(7(8,9)10)12-13-11-5/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyBBBSTUJCWMAKHU-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.02
Rot. Bonds2

About 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole

4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole (PubChem CID 69383502) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole.

Molecular Properties

Compound Name4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole
PubChem CID69383502
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole
SMILESCC(C)Cc1n[nH]nc1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-4(2)3-5-6(7(8,9)10)12-13-11-5/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyBBBSTUJCWMAKHU-UHFFFAOYSA-N
XLogP2.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole?
The IUPAC name of 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole (CID 69383502) is 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole.
What is the SMILES notation for 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole?
The canonical SMILES for 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole is CC(C)Cc1n[nH]nc1C(F)(F)F.
What is the InChIKey of 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole?
The InChIKey is BBBSTUJCWMAKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-4(2)3-5-6(7(8,9)10)12-13-11-5/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole?
4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole has a molecular weight of 193.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-5-(trifluoromethyl)-2H-triazole is sourced from PubChem (CID 69383502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).