5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine

C8H13F3N4 — CID 79542841

IUPAC5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESCC(C)c1c(N)nnn1CCC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-5(2)6-7(12)13-14-15(6)4-3-8(9,10)11/h5H,3-4,12H2,1-2H3
InChIKeyKEKCZUUJFUPOJQ-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.94
Rot. Bonds3

About 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine

5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine (PubChem CID 79542841) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine
PubChem CID79542841
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine
SMILESCC(C)c1c(N)nnn1CCC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-5(2)6-7(12)13-14-15(6)4-3-8(9,10)11/h5H,3-4,12H2,1-2H3
InChIKeyKEKCZUUJFUPOJQ-UHFFFAOYSA-N
XLogP1.94
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542049
5-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
CID 79542054
1-(2,2-Difluoroethyl)-5-methyltriazol-4-amine
CID 79542115
5-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]triazol-4-amine
CID 79542145
5-Tert-butyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542190
5-Methyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79542212
5-Tert-butyl-1-[2-(trifluoromethoxy)ethyl]triazol-4-amine
CID 79542288
5-Propyl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542372
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)triazol-4-amine
CID 79542449
1-(2,2-Difluoroethyl)-5-propan-2-yltriazol-4-amine
CID 79542458
5-Propan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]triazol-4-amine
CID 79542461
1-(2,2-Difluoroethyl)-5-propyltriazol-4-amine
CID 79542477

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The IUPAC name of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine (CID 79542841) is 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine.
What is the SMILES notation for 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The canonical SMILES for 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine is CC(C)c1c(N)nnn1CCC(F)(F)F.
What is the InChIKey of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
The InChIKey is KEKCZUUJFUPOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-5(2)6-7(12)13-14-15(6)4-3-8(9,10)11/h5H,3-4,12H2,1-2H3.
What are the key properties of 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine?
5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine has a molecular weight of 222.21 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(3,3,3-trifluoropropyl)triazol-4-amine is sourced from PubChem (CID 79542841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).