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

C9H5F3N4 — CID 137346968

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 Name5-[3-(trifluoromethyl)diazirin-3-yl]-1H-indazole
PubChem CID137346968
Molecular FormulaC9H5F3N4
Molecular Weight226.16 g/mol
Exact Mass226.05
IUPAC Name5-[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
XLogP2.74
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazol-5-yl)cyclopropan-1-ol
CID 117277102
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-indazole
CID 138396393
ethane;5-methyl-1H-indazole
CID 178026047
1H-indazole-5-thiolate
CID 51922109
N-(2,2,2-trifluoroethyl)-1H-indazol-5-amine
CID 102049744
5-(bromomethyl)-1H-indazole;hydron
CID 70114512
5-[3-(4-fluorophenyl)-5-azaspiro[3.4]octan-3-yl]-1H-indazole
CID 175724926
N-(4-fluorophenyl)-1H-indazol-5-amine
CID 91229030
3-[4-[3,5-bis[4-[3-(trifluoromethyl)diazirin-3-yl]phenoxy]phenoxy]phenyl]-3-(trifluoromethyl)diazirine
CID 118978436
1H-indazol-5-yl(methanidyl)azanium
CID 23545601
5-[4-tert-butyl-2-(trifluoromethyl)imidazol-1-yl]-1H-indazole
CID 172744174
3-(1H-indazol-5-yl)pentan-3-ol
CID 58731273

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).