1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine

C9H17FN4 — CID 106229604

IUPAC1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCCF)nn1
InChIInChI=1S/C9H17FN4/c1-2-4-8(11)9-7-14(13-12-9)6-3-5-10/h7-8H,2-6,11H2,1H3
InChIKeyWATAJTWXNRCALI-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.44
Rot. Bonds6

About 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine

1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine (PubChem CID 106229604) has the molecular formula C9H17FN4 and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine
PubChem CID106229604
Molecular FormulaC9H17FN4
Molecular Weight200.26 g/mol
Exact Mass200.14
IUPAC Name1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine
SMILESCCCC(N)c1cn(CCCF)nn1
InChIInChI=1S/C9H17FN4/c1-2-4-8(11)9-7-14(13-12-9)6-3-5-10/h7-8H,2-6,11H2,1H3
InChIKeyWATAJTWXNRCALI-UHFFFAOYSA-N
XLogP1.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine?
The IUPAC name of 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine (CID 106229604) is 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine.
What is the SMILES notation for 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine?
The canonical SMILES for 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine is CCCC(N)c1cn(CCCF)nn1.
What is the InChIKey of 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine?
The InChIKey is WATAJTWXNRCALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN4/c1-2-4-8(11)9-7-14(13-12-9)6-3-5-10/h7-8H,2-6,11H2,1H3.
What are the key properties of 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine?
1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine has a molecular weight of 200.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluoropropyl)triazol-4-yl]butan-1-amine is sourced from PubChem (CID 106229604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).