2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide

C6H9F3N6O — CID 79810769

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1nn[nH]n1)C(F)(F)F
InChIInChI=1S/C6H9F3N6O/c1-5(10,6(7,8)9)4(16)11-2-3-12-14-15-13-3/h2,10H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyUJLKIVVYEIOGTO-UHFFFAOYSA-N
MW238.17 g/mol
LogP-0.90
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide (PubChem CID 79810769) has the molecular formula C6H9F3N6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
PubChem CID79810769
Molecular FormulaC6H9F3N6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide
SMILESCC(N)(C(=O)NCc1nn[nH]n1)C(F)(F)F
InChIInChI=1S/C6H9F3N6O/c1-5(10,6(7,8)9)4(16)11-2-3-12-14-15-13-3/h2,10H2,1H3,(H,11,16)(H,12,13,14,15)
InChIKeyUJLKIVVYEIOGTO-UHFFFAOYSA-N
XLogP-0.90
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 5-0.90
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-(2H-tetrazol-5-ylmethyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide (CID 79810769) is 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide is CC(N)(C(=O)NCc1nn[nH]n1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
The InChIKey is UJLKIVVYEIOGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N6O/c1-5(10,6(7,8)9)4(16)11-2-3-12-14-15-13-3/h2,10H2,1H3,(H,11,16)(H,12,13,14,15).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(2H-tetrazol-5-ylmethyl)propanamide has a molecular weight of 238.17 g/mol, XLogP of -0.90, 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-(2H-tetrazol-5-ylmethyl)propanamide is sourced from PubChem (CID 79810769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).