4-methyl-1-propyl-5-(trifluoromethyl)triazole

C7H10F3N3 — CID 69383402

IUPAC4-methyl-1-propyl-5-(trifluoromethyl)triazole
SMILESCCCn1nnc(C)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-3-4-13-6(7(8,9)10)5(2)11-12-13/h3-4H2,1-2H3
InChIKeyXSSMKIOZEFKXIG-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.02
Rot. Bonds2

About 4-methyl-1-propyl-5-(trifluoromethyl)triazole

4-methyl-1-propyl-5-(trifluoromethyl)triazole (PubChem CID 69383402) has the molecular formula C7H10F3N3 and a molecular weight of 193.17 g/mol. Its IUPAC name is 4-methyl-1-propyl-5-(trifluoromethyl)triazole.

Molecular Properties

Compound Name4-methyl-1-propyl-5-(trifluoromethyl)triazole
PubChem CID69383402
Molecular FormulaC7H10F3N3
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name4-methyl-1-propyl-5-(trifluoromethyl)triazole
SMILESCCCn1nnc(C)c1C(F)(F)F
InChIInChI=1S/C7H10F3N3/c1-3-4-13-6(7(8,9)10)5(2)11-12-13/h3-4H2,1-2H3
InChIKeyXSSMKIOZEFKXIG-UHFFFAOYSA-N
XLogP2.02
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-5-(trifluoromethyl)triazole?
The IUPAC name of 4-methyl-1-propyl-5-(trifluoromethyl)triazole (CID 69383402) is 4-methyl-1-propyl-5-(trifluoromethyl)triazole.
What is the SMILES notation for 4-methyl-1-propyl-5-(trifluoromethyl)triazole?
The canonical SMILES for 4-methyl-1-propyl-5-(trifluoromethyl)triazole is CCCn1nnc(C)c1C(F)(F)F.
What is the InChIKey of 4-methyl-1-propyl-5-(trifluoromethyl)triazole?
The InChIKey is XSSMKIOZEFKXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3/c1-3-4-13-6(7(8,9)10)5(2)11-12-13/h3-4H2,1-2H3.
What are the key properties of 4-methyl-1-propyl-5-(trifluoromethyl)triazole?
4-methyl-1-propyl-5-(trifluoromethyl)triazole has a molecular weight of 193.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-5-(trifluoromethyl)triazole is sourced from PubChem (CID 69383402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).