5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine

C7H11FN4 — CID 80697040

IUPAC5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine
SMILESNc1nnn(CCF)c1C1CC1
InChIInChI=1S/C7H11FN4/c8-3-4-12-6(5-1-2-5)7(9)10-11-12/h5H,1-4,9H2
InChIKeyIVPYBBCCRKXSFE-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.71
Rot. Bonds3

About 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine

5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine (PubChem CID 80697040) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine
PubChem CID80697040
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine
SMILESNc1nnn(CCF)c1C1CC1
InChIInChI=1S/C7H11FN4/c8-3-4-12-6(5-1-2-5)7(9)10-11-12/h5H,1-4,9H2
InChIKeyIVPYBBCCRKXSFE-UHFFFAOYSA-N
XLogP0.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine (CID 80697040) is 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine is Nc1nnn(CCF)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine?
The InChIKey is IVPYBBCCRKXSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c8-3-4-12-6(5-1-2-5)7(9)10-11-12/h5H,1-4,9H2.
What are the key properties of 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine?
5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine has a molecular weight of 170.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-fluoroethyl)triazol-4-amine is sourced from PubChem (CID 80697040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).