2-[4-(3-fluoropropyl)triazol-1-yl]acetamide

C7H11FN4O — CID 70304467

IUPAC2-[4-(3-fluoropropyl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CCCF)nn1
InChIInChI=1S/C7H11FN4O/c8-3-1-2-6-4-12(11-10-6)5-7(9)13/h4H,1-3,5H2,(H2,9,13)
InChIKeyIISASJADEFAKRA-UHFFFAOYSA-N
MW186.19 g/mol
LogP-0.33
Rot. Bonds5

About 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide

2-[4-(3-fluoropropyl)triazol-1-yl]acetamide (PubChem CID 70304467) has the molecular formula C7H11FN4O and a molecular weight of 186.19 g/mol. Its IUPAC name is 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-fluoropropyl)triazol-1-yl]acetamide
PubChem CID70304467
Molecular FormulaC7H11FN4O
Molecular Weight186.19 g/mol
Exact Mass186.09
IUPAC Name2-[4-(3-fluoropropyl)triazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(CCCF)nn1
InChIInChI=1S/C7H11FN4O/c8-3-1-2-6-4-12(11-10-6)5-7(9)13/h4H,1-3,5H2,(H2,9,13)
InChIKeyIISASJADEFAKRA-UHFFFAOYSA-N
XLogP-0.33
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide?
The IUPAC name of 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide (CID 70304467) is 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide is NC(=O)Cn1cc(CCCF)nn1.
What is the InChIKey of 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide?
The InChIKey is IISASJADEFAKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O/c8-3-1-2-6-4-12(11-10-6)5-7(9)13/h4H,1-3,5H2,(H2,9,13).
What are the key properties of 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide?
2-[4-(3-fluoropropyl)triazol-1-yl]acetamide has a molecular weight of 186.19 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropyl)triazol-1-yl]acetamide is sourced from PubChem (CID 70304467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).