1-(2-fluoroethyl)-5-propyltriazol-4-amine

C7H13FN4 — CID 80696920

IUPAC1-(2-fluoroethyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1CCF
InChIInChI=1S/C7H13FN4/c1-2-3-6-7(9)10-11-12(6)5-4-8/h2-5,9H2,1H3
InChIKeyXPVUYCGQAQDYEO-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.78
Rot. Bonds4

About 1-(2-fluoroethyl)-5-propyltriazol-4-amine

1-(2-fluoroethyl)-5-propyltriazol-4-amine (PubChem CID 80696920) has the molecular formula C7H13FN4 and a molecular weight of 172.21 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-5-propyltriazol-4-amine
PubChem CID80696920
Molecular FormulaC7H13FN4
Molecular Weight172.21 g/mol
Exact Mass172.11
IUPAC Name1-(2-fluoroethyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1CCF
InChIInChI=1S/C7H13FN4/c1-2-3-6-7(9)10-11-12(6)5-4-8/h2-5,9H2,1H3
InChIKeyXPVUYCGQAQDYEO-UHFFFAOYSA-N
XLogP0.78
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(2-fluoroethyl)-5-propyltriazol-4-amine (CID 80696920) is 1-(2-fluoroethyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(2-fluoroethyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(2-fluoroethyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-5-propyltriazol-4-amine?
The InChIKey is XPVUYCGQAQDYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN4/c1-2-3-6-7(9)10-11-12(6)5-4-8/h2-5,9H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-5-propyltriazol-4-amine?
1-(2-fluoroethyl)-5-propyltriazol-4-amine has a molecular weight of 172.21 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 80696920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).