sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole

C3H3F3N3Na — CID 175347960

IUPACsodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1ncn[nH]1.[H-].[Na+]
InChIInChI=1S/C3H2F3N3.Na.H/c4-3(5,6)2-7-1-8-9-2;;/h1H,(H,7,8,9);;/q;+1;-1
InChIKeyHIABFIWLOHTICO-UHFFFAOYSA-N
MW161.06 g/mol
LogP-2.06
Rot. Bonds

About sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole

sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 175347960) has the molecular formula C3H3F3N3Na and a molecular weight of 161.06 g/mol. Its IUPAC name is sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Namesodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID175347960
Molecular FormulaC3H3F3N3Na
Molecular Weight161.06 g/mol
Exact Mass161.02
IUPAC Namesodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1ncn[nH]1.[H-].[Na+]
InChIInChI=1S/C3H2F3N3.Na.H/c4-3(5,6)2-7-1-8-9-2;;/h1H,(H,7,8,9);;/q;+1;-1
InChIKeyHIABFIWLOHTICO-UHFFFAOYSA-N
XLogP-2.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.06
LogP ≤ 5-2.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-1,2,4-triazole
CID 172853821
5-(2,3,3-trimethylbutan-2-yl)-1H-1,2,4-triazole
CID 164943779
5-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 70476522
5-(trifluoromethyl)-1H-1,2,4-triazin-6-one
CID 167201583
sodium;hydride;1H-1,2,4-triazole-5-carboxamide
CID 173252182
5-[4-methyl-2-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CID 174633891
5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazole;ethane
CID 142400279
5-[4-(trifluoromethyl)phenyl]sulfanyl-1H-1,2,4-triazole
CID 22401460
3,3,3-trifluoro-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 140635081
CID 69093513
CID 69093513
1H-1,2,4-triazol-5-amine
CID 22743754
(3,5-13C2,1,2-15N2)1H-1,2,4-triazol-5-amine
CID 71313376

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole (CID 175347960) is sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1ncn[nH]1.[H-].[Na+].
What is the InChIKey of sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is HIABFIWLOHTICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3N3.Na.H/c4-3(5,6)2-7-1-8-9-2;;/h1H,(H,7,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole?
sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 161.06 g/mol, XLogP of -2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 175347960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).