[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane

C4H5AlF3N3 — CID 162606636

IUPAC[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane
SMILESCc1nc(C(F)(F)F)n([AlH2])n1
InChIInChI=1S/C4H3F3N3.Al.2H/c1-2-8-3(10-9-2)4(5,6)7;;;/h1H3;;;/q-1;+1;;
InChIKeyXAVDHBWKXUCUJD-UHFFFAOYSA-N
MW179.08 g/mol
LogP0.00
Rot. Bonds

About [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane

[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane (PubChem CID 162606636) has the molecular formula C4H5AlF3N3 and a molecular weight of 179.08 g/mol. Its IUPAC name is [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane.

Molecular Properties

Compound Name[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane
PubChem CID162606636
Molecular FormulaC4H5AlF3N3
Molecular Weight179.08 g/mol
Exact Mass179.03
IUPAC Name[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane
SMILESCc1nc(C(F)(F)F)n([AlH2])n1
InChIInChI=1S/C4H3F3N3.Al.2H/c1-2-8-3(10-9-2)4(5,6)7;;;/h1H3;;;/q-1;+1;;
InChIKeyXAVDHBWKXUCUJD-UHFFFAOYSA-N
XLogP0.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.08
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dimethyl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 45791732
2,5-Dimethyl-3-(trifluoromethyl)-2H-1,2,4-triazole
CID 15439063
3,5-Dimethyl-4-(trifluoromethyl)-1,2,4-triazole
CID 20719698
3,5-Bis(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 20746470
3-Methyl-5-(trifluoromethyl)-1,2-diaza-4-azanidacyclopenta-2,5-diene
CID 51397714
CID 59233642
CID 59233642
3,4-Dimethyl-5-(trifluoromethyl)-1,2,4-triazole
CID 59887060
3,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 68355488
1-Ethyl-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 118357674
1-(Difluoromethyl)-3,5-dimethyl-1,2,4-triazole
CID 118613984
4-(Difluoromethyl)-3,5-dimethyl-1,2,4-triazole
CID 118614370
1-Methoxy-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 126547544

Frequently Asked Questions

What is the IUPAC name of [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane?
The IUPAC name of [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane (CID 162606636) is [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane.
What is the SMILES notation for [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane?
The canonical SMILES for [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane is Cc1nc(C(F)(F)F)n([AlH2])n1.
What is the InChIKey of [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane?
The InChIKey is XAVDHBWKXUCUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N3.Al.2H/c1-2-8-3(10-9-2)4(5,6)7;;;/h1H3;;;/q-1;+1;;.
What are the key properties of [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane?
[3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane has a molecular weight of 179.08 g/mol, XLogP of 0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-5-(trifluoromethyl)-1,2,4-triazol-1-yl]alumane is sourced from PubChem (CID 162606636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).