5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine

C9H13F3N4 — CID 115519672

IUPAC5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine
SMILESNc1nnn(CCCC(F)(F)F)c1C1CC1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)4-1-5-16-7(6-2-3-6)8(13)14-15-16/h6H,1-5,13H2
InChIKeyYBLZEUXVHOSZNW-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.08
Rot. Bonds4

About 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine

5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine (PubChem CID 115519672) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine
PubChem CID115519672
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine
SMILESNc1nnn(CCCC(F)(F)F)c1C1CC1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)4-1-5-16-7(6-2-3-6)8(13)14-15-16/h6H,1-5,13H2
InChIKeyYBLZEUXVHOSZNW-UHFFFAOYSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine (CID 115519672) is 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine is Nc1nnn(CCCC(F)(F)F)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine?
The InChIKey is YBLZEUXVHOSZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)4-1-5-16-7(6-2-3-6)8(13)14-15-16/h6H,1-5,13H2.
What are the key properties of 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine?
5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine has a molecular weight of 234.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(4,4,4-trifluorobutyl)triazol-4-amine is sourced from PubChem (CID 115519672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).