5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole

Name: 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₅F₃N₄ — CID 137346968

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole

SMILESFC(F)(F)C1(c2ccc3[nH]ncc3c2)N=N1

InChIInChI=1S/C9H5F3N4/c10-9(11,12)8(15-16-8)6-1-2-7-5(3-6)4-13-14-7/h1-4H,(H,13,14)

InChIKeyNMORRIKFCCTPCK-UHFFFAOYSA-N

MW226.16 g/mol

LogP2.74

Rot. Bonds1

About 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole

5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole (PubChem CID 137346968) has the molecular formula C₉H₅F₃N₄ and a molecular weight of 226.16 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole.

Molecular Properties

Compound Name	5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole
PubChem CID	137346968
Molecular Formula	C₉H₅F₃N₄
Molecular Weight	226.16 g/mol
Exact Mass	226.05
IUPAC Name	5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole
SMILES	FC(F)(F)C1(c2ccc3[nH]ncc3c2)N=N1
InChI	InChI=1S/C9H5F3N4/c10-9(11,12)8(15-16-8)6-1-2-7-5(3-6)4-13-14-7/h1-4H,(H,13,14)
InChIKey	NMORRIKFCCTPCK-UHFFFAOYSA-N
XLogP	2.74
TPSA	53.40 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	226.16
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole?

The IUPAC name of 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole (CID 137346968) is 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole.

What is the SMILES notation for 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole?

The canonical SMILES for 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole is FC(F)(F)C1(c2ccc3[nH]ncc3c2)N=N1.

What is the InChIKey of 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole?

The InChIKey is NMORRIKFCCTPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N4/c10-9(11,12)8(15-16-8)6-1-2-7-5(3-6)4-13-14-7/h1-4H,(H,13,14).

What are the key properties of 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole?

5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole has a molecular weight of 226.16 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole is sourced from PubChem (CID 137346968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 137346968 — identifiers, structure, computed properties (public domain)

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