1-(3-fluoropropyl)-5-propyltriazol-4-amine

C8H15FN4 — CID 81110347

IUPAC1-(3-fluoropropyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1CCCF
InChIInChI=1S/C8H15FN4/c1-2-4-7-8(10)11-12-13(7)6-3-5-9/h2-6,10H2,1H3
InChIKeyVDDIGFPEMCLHJO-UHFFFAOYSA-N
MW186.23 g/mol
LogP1.17
Rot. Bonds5

About 1-(3-fluoropropyl)-5-propyltriazol-4-amine

1-(3-fluoropropyl)-5-propyltriazol-4-amine (PubChem CID 81110347) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-(3-fluoropropyl)-5-propyltriazol-4-amine
PubChem CID81110347
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name1-(3-fluoropropyl)-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1CCCF
InChIInChI=1S/C8H15FN4/c1-2-4-7-8(10)11-12-13(7)6-3-5-9/h2-6,10H2,1H3
InChIKeyVDDIGFPEMCLHJO-UHFFFAOYSA-N
XLogP1.17
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-5-propyltriazol-4-amine?
The IUPAC name of 1-(3-fluoropropyl)-5-propyltriazol-4-amine (CID 81110347) is 1-(3-fluoropropyl)-5-propyltriazol-4-amine.
What is the SMILES notation for 1-(3-fluoropropyl)-5-propyltriazol-4-amine?
The canonical SMILES for 1-(3-fluoropropyl)-5-propyltriazol-4-amine is CCCc1c(N)nnn1CCCF.
What is the InChIKey of 1-(3-fluoropropyl)-5-propyltriazol-4-amine?
The InChIKey is VDDIGFPEMCLHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-2-4-7-8(10)11-12-13(7)6-3-5-9/h2-6,10H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-5-propyltriazol-4-amine?
1-(3-fluoropropyl)-5-propyltriazol-4-amine has a molecular weight of 186.23 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-5-propyltriazol-4-amine is sourced from PubChem (CID 81110347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).