4-(trifluoromethoxy)-1H-indazol-3-amine

C8H6F3N3O — CID 75530475

IUPAC4-(trifluoromethoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cccc(OC(F)(F)F)c12
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)15-5-3-1-2-4-6(5)7(12)14-13-4/h1-3H,(H3,12,13,14)
InChIKeyGRFVCBXRWSHTLR-UHFFFAOYSA-N
MW217.15 g/mol
LogP2.04
Rot. Bonds1

About 4-(trifluoromethoxy)-1H-indazol-3-amine

4-(trifluoromethoxy)-1H-indazol-3-amine (PubChem CID 75530475) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 4-(trifluoromethoxy)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)-1H-indazol-3-amine
PubChem CID75530475
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name4-(trifluoromethoxy)-1H-indazol-3-amine
SMILESNc1n[nH]c2cccc(OC(F)(F)F)c12
InChIInChI=1S/C8H6F3N3O/c9-8(10,11)15-5-3-1-2-4-6(5)7(12)14-13-4/h1-3H,(H3,12,13,14)
InChIKeyGRFVCBXRWSHTLR-UHFFFAOYSA-N
XLogP2.04
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)-1H-indazol-3-amine?
The IUPAC name of 4-(trifluoromethoxy)-1H-indazol-3-amine (CID 75530475) is 4-(trifluoromethoxy)-1H-indazol-3-amine.
What is the SMILES notation for 4-(trifluoromethoxy)-1H-indazol-3-amine?
The canonical SMILES for 4-(trifluoromethoxy)-1H-indazol-3-amine is Nc1n[nH]c2cccc(OC(F)(F)F)c12.
What is the InChIKey of 4-(trifluoromethoxy)-1H-indazol-3-amine?
The InChIKey is GRFVCBXRWSHTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c9-8(10,11)15-5-3-1-2-4-6(5)7(12)14-13-4/h1-3H,(H3,12,13,14).
What are the key properties of 4-(trifluoromethoxy)-1H-indazol-3-amine?
4-(trifluoromethoxy)-1H-indazol-3-amine has a molecular weight of 217.15 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)-1H-indazol-3-amine is sourced from PubChem (CID 75530475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).