N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine

C7H7F3N6 — CID 63226979

IUPACN-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESFC(F)(F)CCNc1cncc2nnnn12
InChIInChI=1S/C7H7F3N6/c8-7(9,10)1-2-12-5-3-11-4-6-13-14-15-16(5)6/h3-4,12H,1-2H2
InChIKeyLPSPSLYECBIDNN-UHFFFAOYSA-N
MW232.17 g/mol
LogP0.88
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine

N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 63226979) has the molecular formula C7H7F3N6 and a molecular weight of 232.17 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID63226979
Molecular FormulaC7H7F3N6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC NameN-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine
SMILESFC(F)(F)CCNc1cncc2nnnn12
InChIInChI=1S/C7H7F3N6/c8-7(9,10)1-2-12-5-3-11-4-6-13-14-15-16(5)6/h3-4,12H,1-2H2
InChIKeyLPSPSLYECBIDNN-UHFFFAOYSA-N
XLogP0.88
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine (CID 63226979) is N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine is FC(F)(F)CCNc1cncc2nnnn12.
What is the InChIKey of N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is LPSPSLYECBIDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N6/c8-7(9,10)1-2-12-5-3-11-4-6-13-14-15-16(5)6/h3-4,12H,1-2H2.
What are the key properties of N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine?
N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 232.17 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 63226979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).