1H-indazol-3-amine;2,2,2-trifluoroacetic acid

C9H8F3N3O2 — CID 122574481

IUPAC1H-indazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1n[nH]c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C7H7N3.C2HF3O2/c8-7-5-3-1-2-4-6(5)9-10-7;3-2(4,5)1(6)7/h1-4H,(H3,8,9,10);(H,6,7)
InChIKeyCMAFGQVNSWJSRC-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.78
Rot. Bonds

About 1H-indazol-3-amine;2,2,2-trifluoroacetic acid

1H-indazol-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 122574481) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 1H-indazol-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-indazol-3-amine;2,2,2-trifluoroacetic acid
PubChem CID122574481
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name1H-indazol-3-amine;2,2,2-trifluoroacetic acid
SMILESNc1n[nH]c2ccccc12.O=C(O)C(F)(F)F
InChIInChI=1S/C7H7N3.C2HF3O2/c8-7-5-3-1-2-4-6(5)9-10-7;3-2(4,5)1(6)7/h1-4H,(H3,8,9,10);(H,6,7)
InChIKeyCMAFGQVNSWJSRC-UHFFFAOYSA-N
XLogP1.78
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-indazol-3-amine;2,2,2-trifluoroacetic acid (CID 122574481) is 1H-indazol-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-indazol-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-indazol-3-amine;2,2,2-trifluoroacetic acid is Nc1n[nH]c2ccccc12.O=C(O)C(F)(F)F.
What is the InChIKey of 1H-indazol-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CMAFGQVNSWJSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C2HF3O2/c8-7-5-3-1-2-4-6(5)9-10-7;3-2(4,5)1(6)7/h1-4H,(H3,8,9,10);(H,6,7).
What are the key properties of 1H-indazol-3-amine;2,2,2-trifluoroacetic acid?
1H-indazol-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 247.18 g/mol, XLogP of 1.78, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 122574481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).