2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

C7H11F3N6O — CID 79810658

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H11F3N6O/c1-3(4-13-15-16-14-4)12-5(17)6(2,11)7(8,9)10/h3H,11H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyFSBDLXNFHAZGGM-UHFFFAOYSA-N
MW252.20 g/mol
LogP-0.34
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 79810658) has the molecular formula C7H11F3N6O and a molecular weight of 252.20 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID79810658
Molecular FormulaC7H11F3N6O
Molecular Weight252.20 g/mol
Exact Mass252.09
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCC(NC(=O)C(C)(N)C(F)(F)F)c1nn[nH]n1
InChIInChI=1S/C7H11F3N6O/c1-3(4-13-15-16-14-4)12-5(17)6(2,11)7(8,9)10/h3H,11H2,1-2H3,(H,12,17)(H,13,14,15,16)
InChIKeyFSBDLXNFHAZGGM-UHFFFAOYSA-N
XLogP-0.34
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide (CID 79810658) is 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is CC(NC(=O)C(C)(N)C(F)(F)F)c1nn[nH]n1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is FSBDLXNFHAZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N6O/c1-3(4-13-15-16-14-4)12-5(17)6(2,11)7(8,9)10/h3H,11H2,1-2H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 252.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 79810658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).