6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole

C11H12FN5 — CID 174680571

IUPAC6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole
SMILESCN1Cc2cc(Cc3ncn[nH]3)c(F)cc2N1
InChIInChI=1S/C11H12FN5/c1-17-5-8-2-7(3-11-13-6-14-15-11)9(12)4-10(8)16-17/h2,4,6,16H,3,5H2,1H3,(H,13,14,15)
InChIKeyLQKKWPBOXUDLEN-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.31
Rot. Bonds2

About 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole

6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole (PubChem CID 174680571) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole.

Molecular Properties

Compound Name6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole
PubChem CID174680571
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole
SMILESCN1Cc2cc(Cc3ncn[nH]3)c(F)cc2N1
InChIInChI=1S/C11H12FN5/c1-17-5-8-2-7(3-11-13-6-14-15-11)9(12)4-10(8)16-17/h2,4,6,16H,3,5H2,1H3,(H,13,14,15)
InChIKeyLQKKWPBOXUDLEN-UHFFFAOYSA-N
XLogP1.31
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole?
The IUPAC name of 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole (CID 174680571) is 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole.
What is the SMILES notation for 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole?
The canonical SMILES for 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole is CN1Cc2cc(Cc3ncn[nH]3)c(F)cc2N1.
What is the InChIKey of 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole?
The InChIKey is LQKKWPBOXUDLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5/c1-17-5-8-2-7(3-11-13-6-14-15-11)9(12)4-10(8)16-17/h2,4,6,16H,3,5H2,1H3,(H,13,14,15).
What are the key properties of 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole?
6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole has a molecular weight of 233.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-5-(1H-1,2,4-triazol-5-ylmethyl)-1,3-dihydroindazole is sourced from PubChem (CID 174680571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).