5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid

C7H11FN4O2 — CID 103121507

IUPAC5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid
SMILESNCc1c(C(=O)O)nnn1CCCF
InChIInChI=1S/C7H11FN4O2/c8-2-1-3-12-5(4-9)6(7(13)14)10-11-12/h1-4,9H2,(H,13,14)
InChIKeyBWTQLVDRYTZVQU-UHFFFAOYSA-N
MW202.19 g/mol
LogP-0.21
Rot. Bonds5

About 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid

5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid (PubChem CID 103121507) has the molecular formula C7H11FN4O2 and a molecular weight of 202.19 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid
PubChem CID103121507
Molecular FormulaC7H11FN4O2
Molecular Weight202.19 g/mol
Exact Mass202.09
IUPAC Name5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid
SMILESNCc1c(C(=O)O)nnn1CCCF
InChIInChI=1S/C7H11FN4O2/c8-2-1-3-12-5(4-9)6(7(13)14)10-11-12/h1-4,9H2,(H,13,14)
InChIKeyBWTQLVDRYTZVQU-UHFFFAOYSA-N
XLogP-0.21
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid?
The IUPAC name of 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid (CID 103121507) is 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid?
The canonical SMILES for 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid is NCc1c(C(=O)O)nnn1CCCF.
What is the InChIKey of 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid?
The InChIKey is BWTQLVDRYTZVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4O2/c8-2-1-3-12-5(4-9)6(7(13)14)10-11-12/h1-4,9H2,(H,13,14).
What are the key properties of 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid?
5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid has a molecular weight of 202.19 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylic acid is sourced from PubChem (CID 103121507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).