3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole

C10H16F3N3 — CID 151059421

IUPAC3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
SMILESCCCCc1nnc(C(C)C)n1C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-5-6-8-14-15-9(7(2)3)16(8)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyMFVNLTGGCADRPW-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.22
Rot. Bonds4

About 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole

3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole (PubChem CID 151059421) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
PubChem CID151059421
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole
SMILESCCCCc1nnc(C(C)C)n1C(F)(F)F
InChIInChI=1S/C10H16F3N3/c1-4-5-6-8-14-15-9(7(2)3)16(8)10(11,12)13/h7H,4-6H2,1-3H3
InChIKeyMFVNLTGGCADRPW-UHFFFAOYSA-N
XLogP3.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Chloropropan-2-yl)-5-pentyl-3-(trifluoromethyl)-1,2,4-triazole
CID 10401599
3-(1,1-Difluoropentyl)-1-methyl-5-(2-methylpropyl)-1,2,4-triazole
CID 57280410
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
4-Cyclohexyl-3-(1,1-difluoroethyl)-5-methyl-1,2,4-triazole
CID 59287295
3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
3-Tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539572
3-Tert-butyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59539763
3-(3-Fluoropropyl)-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 67234435
3-Cyclopropyl-5-methyl-4-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 71010953
3-Ethyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 89019247
3-Ethyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 89019257
3,4-Dimethyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 89185710

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole (CID 151059421) is 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole is CCCCc1nnc(C(C)C)n1C(F)(F)F.
What is the InChIKey of 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is MFVNLTGGCADRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-4-5-6-8-14-15-9(7(2)3)16(8)10(11,12)13/h7H,4-6H2,1-3H3.
What are the key properties of 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole?
3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 235.25 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-propan-2-yl-4-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 151059421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).