3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole

C9H12F3N3 — CID 143706140

IUPAC3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESC=C(C)c1nnc(C(F)(F)F)n1CCC
InChIInChI=1S/C9H12F3N3/c1-4-5-15-7(6(2)3)13-14-8(15)9(10,11)12/h2,4-5H2,1,3H3
InChIKeyGBHBZADUYLHJFG-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.74
Rot. Bonds3

About 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole

3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole (PubChem CID 143706140) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
PubChem CID143706140
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
SMILESC=C(C)c1nnc(C(F)(F)F)n1CCC
InChIInChI=1S/C9H12F3N3/c1-4-5-15-7(6(2)3)13-14-8(15)9(10,11)12/h2,4-5H2,1,3H3
InChIKeyGBHBZADUYLHJFG-UHFFFAOYSA-N
XLogP2.74
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
3-Tert-butyl-4-methyl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 59539542
3-Tert-butyl-4-methyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59539763
4-Methyl-3-prop-2-enyl-5-(trifluoromethyl)-1,2,4-triazole
CID 68912308
3-Ethyl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole
CID 89734320
3,4-Diethyl-5-(trifluoromethyl)-1,2,4-triazole
CID 91362534
3-Tert-butyl-5-(difluoromethyl)-4-methyl-1,2,4-triazole
CID 129175046
5-[(Z)-but-2-en-2-yl]-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 134469053
3-(Cyclopropylmethyl)-4-methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-1,2,4-triazole
CID 149170399
4-Methyl-3-propan-2-yl-5-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 158464728
4-Ethyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-triazole
CID 163390480
5-(Difluoromethyl)-1-methyl-3-prop-1-en-2-yl-1,2,4-triazole
CID 169840421

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole (CID 143706140) is 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole is C=C(C)c1nnc(C(F)(F)F)n1CCC.
What is the InChIKey of 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is GBHBZADUYLHJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-4-5-15-7(6(2)3)13-14-8(15)9(10,11)12/h2,4-5H2,1,3H3.
What are the key properties of 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole?
3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 219.21 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-4-propyl-5-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 143706140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).