1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine

C5H8F3N5 — CID 130933772

IUPAC1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine
SMILESCC(C)(n1nnnc1N)C(F)(F)F
InChIInChI=1S/C5H8F3N5/c1-4(2,5(6,7)8)13-3(9)10-11-12-13/h1-2H3,(H2,9,10,12)
InChIKeyJRSCFWJSOUNNIY-UHFFFAOYSA-N
MW195.15 g/mol
LogP0.55
Rot. Bonds1

About 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine

1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine (PubChem CID 130933772) has the molecular formula C5H8F3N5 and a molecular weight of 195.15 g/mol. Its IUPAC name is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine.

Molecular Properties

Compound Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine
PubChem CID130933772
Molecular FormulaC5H8F3N5
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC Name1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine
SMILESCC(C)(n1nnnc1N)C(F)(F)F
InChIInChI=1S/C5H8F3N5/c1-4(2,5(6,7)8)13-3(9)10-11-12-13/h1-2H3,(H2,9,10,12)
InChIKeyJRSCFWJSOUNNIY-UHFFFAOYSA-N
XLogP0.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664936
1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
CID 87665075
1-[2-(trifluoromethylsulfanyl)ethyl]tetrazol-5-amine
CID 106433139
1-tert-butyl-5-nitrotetrazole
CID 69032216
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methyltetrazole
CID 59530193
1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664496
2-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]propanoic acid
CID 79660294
5-hexyl-1-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87665284
1-(2,2,3,3-tetramethylcyclopropyl)tetrazol-5-amine
CID 79506517
5-tert-butyl-1-(2-methylbutan-2-yl)tetrazole
CID 134576797
2-(1-tert-butyltetrazol-5-yl)acetic acid
CID 83876391
3-fluoro-5-[1-(3-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 106330339

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine?
The IUPAC name of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine (CID 130933772) is 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine.
What is the SMILES notation for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine?
The canonical SMILES for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine is CC(C)(n1nnnc1N)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine?
The InChIKey is JRSCFWJSOUNNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N5/c1-4(2,5(6,7)8)13-3(9)10-11-12-13/h1-2H3,(H2,9,10,12).
What are the key properties of 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine?
1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine has a molecular weight of 195.15 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine is sourced from PubChem (CID 130933772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).