5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

C13H13FN4O — CID 175824924

IUPAC5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(Cc2cc(C3CC3)ccc2F)n1
InChIInChI=1S/C13H13FN4O/c14-10-4-3-8(7-1-2-7)5-9(10)6-11-16-13(12(15)19)18-17-11/h3-5,7H,1-2,6H2,(H2,15,19)(H,16,17,18)
InChIKeySTWQPPJGLSBMRY-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.51
Rot. Bonds4

About 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide

5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide (PubChem CID 175824924) has the molecular formula C13H13FN4O and a molecular weight of 260.27 g/mol. Its IUPAC name is 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
PubChem CID175824924
Molecular FormulaC13H13FN4O
Molecular Weight260.27 g/mol
Exact Mass260.11
IUPAC Name5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1n[nH]c(Cc2cc(C3CC3)ccc2F)n1
InChIInChI=1S/C13H13FN4O/c14-10-4-3-8(7-1-2-7)5-9(10)6-11-16-13(12(15)19)18-17-11/h3-5,7H,1-2,6H2,(H2,15,19)(H,16,17,18)
InChIKeySTWQPPJGLSBMRY-UHFFFAOYSA-N
XLogP1.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide (CID 175824924) is 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide is NC(=O)c1n[nH]c(Cc2cc(C3CC3)ccc2F)n1.
What is the InChIKey of 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is STWQPPJGLSBMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O/c14-10-4-3-8(7-1-2-7)5-9(10)6-11-16-13(12(15)19)18-17-11/h3-5,7H,1-2,6H2,(H2,15,19)(H,16,17,18).
What are the key properties of 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide?
5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclopropyl-2-fluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 175824924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).