1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole

C7H8F3N3 — CID 163631583

IUPAC1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nc(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C7H8F3N3/c1-4-11-6(7(8,9)10)12-13(4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyHWNWRFBQOISLMI-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.94
Rot. Bonds1

About 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole

1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 163631583) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID163631583
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
SMILESCc1nc(C(F)(F)F)nn1C1CC1
InChIInChI=1S/C7H8F3N3/c1-4-11-6(7(8,9)10)12-13(4)5-2-3-5/h5H,2-3H2,1H3
InChIKeyHWNWRFBQOISLMI-UHFFFAOYSA-N
XLogP1.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4,5-Trimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91431739
1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
3-chloro-4-cyclopropyl-5-methyl-4H-1,2,4-triazole
CID 63384788
1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
2,5-Dimethyl-3-(trifluoromethyl)-2H-1,2,4-triazole
CID 15439063
4-Propan-2-yl-3,5-bis(trifluoromethyl)-1,2,4-triazole
CID 21811635
1,5-Di(propan-2-yl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57973778
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 58203888
1-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 58977190
CID 59233642
CID 59233642

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole (CID 163631583) is 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole is Cc1nc(C(F)(F)F)nn1C1CC1.
What is the InChIKey of 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is HWNWRFBQOISLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c1-4-11-6(7(8,9)10)12-13(4)5-2-3-5/h5H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole?
1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 191.16 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 163631583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).