N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine

C8H9F3N6 — CID 114131272

IUPACN-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESCC(CC(F)(F)F)Nc1cncc2nnnn12
InChIInChI=1S/C8H9F3N6/c1-5(2-8(9,10)11)13-6-3-12-4-7-14-15-16-17(6)7/h3-5,13H,2H2,1H3
InChIKeyQEDIGZBVZXWLDQ-UHFFFAOYSA-N
MW246.20 g/mol
LogP1.27
Rot. Bonds3

About N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine

N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 114131272) has the molecular formula C8H9F3N6 and a molecular weight of 246.20 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID114131272
Molecular FormulaC8H9F3N6
Molecular Weight246.20 g/mol
Exact Mass246.08
IUPAC NameN-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESCC(CC(F)(F)F)Nc1cncc2nnnn12
InChIInChI=1S/C8H9F3N6/c1-5(2-8(9,10)11)13-6-3-12-4-7-14-15-16-17(6)7/h3-5,13H,2H2,1H3
InChIKeyQEDIGZBVZXWLDQ-UHFFFAOYSA-N
XLogP1.27
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine (CID 114131272) is N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine is CC(CC(F)(F)F)Nc1cncc2nnnn12.
What is the InChIKey of N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is QEDIGZBVZXWLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N6/c1-5(2-8(9,10)11)13-6-3-12-4-7-14-15-16-17(6)7/h3-5,13H,2H2,1H3.
What are the key properties of N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 246.20 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutan-2-yl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 114131272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).