2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide

C10H10F3N7O — CID 131946893

IUPAC2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
SMILESNc1nnnn1CC(=O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C10H10F3N7O/c11-10(12,13)8(6-3-1-2-4-15-6)16-7(21)5-20-9(14)17-18-19-20/h1-4,8H,5H2,(H,16,21)(H2,14,17,19)
InChIKeyLWAYYKFDVWJWFP-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.07
Rot. Bonds4

About 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide

2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide (PubChem CID 131946893) has the molecular formula C10H10F3N7O and a molecular weight of 301.23 g/mol. Its IUPAC name is 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
PubChem CID131946893
Molecular FormulaC10H10F3N7O
Molecular Weight301.23 g/mol
Exact Mass301.09
IUPAC Name2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide
SMILESNc1nnnn1CC(=O)NC(c1ccccn1)C(F)(F)F
InChIInChI=1S/C10H10F3N7O/c11-10(12,13)8(6-3-1-2-4-15-6)16-7(21)5-20-9(14)17-18-19-20/h1-4,8H,5H2,(H,16,21)(H2,14,17,19)
InChIKeyLWAYYKFDVWJWFP-UHFFFAOYSA-N
XLogP0.07
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]butanamide
CID 31018523
2-[4-(2-aminoethoxy)phenyl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]acetamide
CID 126428915
2-(5-aminotetrazol-1-yl)-1-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]ethanone
CID 99930209
1-ethyl-3-propan-2-yl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 77083070
2-(5-aminotetrazol-1-yl)-N-(3,3-dimethyl-1-pyridin-3-ylbutyl)acetamide
CID 91778729
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]propanamide
CID 42532193
1-methyl-6-oxo-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 77095074
4-(1,2,4-triazol-4-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 99949555
2-[2,2,2-trifluoro-1-(sulfinoamino)ethyl]pyridine
CID 176830597
1-cyclohexyl-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)triazole-4-carboxamide
CID 45234511
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145

Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide (CID 131946893) is 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide is Nc1nnnn1CC(=O)NC(c1ccccn1)C(F)(F)F.
What is the InChIKey of 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
The InChIKey is LWAYYKFDVWJWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N7O/c11-10(12,13)8(6-3-1-2-4-15-6)16-7(21)5-20-9(14)17-18-19-20/h1-4,8H,5H2,(H,16,21)(H2,14,17,19).
What are the key properties of 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide?
2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide has a molecular weight of 301.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-1-yl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 131946893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).