1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine

C15H11FN6 — CID 117077488

IUPAC1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine
SMILESNc1nn(-c2ccc(F)cc2)c2cc(-c3ncn[nH]3)ccc12
InChIInChI=1S/C15H11FN6/c16-10-2-4-11(5-3-10)22-13-7-9(15-18-8-19-20-15)1-6-12(13)14(17)21-22/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeySRCBLYOSNADGTJ-UHFFFAOYSA-N
MW294.29 g/mol
LogP2.53
Rot. Bonds2

About 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine

1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine (PubChem CID 117077488) has the molecular formula C15H11FN6 and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine
PubChem CID117077488
Molecular FormulaC15H11FN6
Molecular Weight294.29 g/mol
Exact Mass294.10
IUPAC Name1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine
SMILESNc1nn(-c2ccc(F)cc2)c2cc(-c3ncn[nH]3)ccc12
InChIInChI=1S/C15H11FN6/c16-10-2-4-11(5-3-10)22-13-7-9(15-18-8-19-20-15)1-6-12(13)14(17)21-22/h1-8H,(H2,17,21)(H,18,19,20)
InChIKeySRCBLYOSNADGTJ-UHFFFAOYSA-N
XLogP2.53
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine?
The IUPAC name of 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine (CID 117077488) is 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine?
The canonical SMILES for 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine is Nc1nn(-c2ccc(F)cc2)c2cc(-c3ncn[nH]3)ccc12.
What is the InChIKey of 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine?
The InChIKey is SRCBLYOSNADGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN6/c16-10-2-4-11(5-3-10)22-13-7-9(15-18-8-19-20-15)1-6-12(13)14(17)21-22/h1-8H,(H2,17,21)(H,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine?
1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine has a molecular weight of 294.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-(1H-1,2,4-triazol-5-yl)indazol-3-amine is sourced from PubChem (CID 117077488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).