2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

C9H12F3N5O — CID 107062058

IUPAC2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESCn1nnc(CC(=O)C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C9H12F3N5O/c1-17-15-7(14-16-17)4-6(18)8(9(10,11)12)2-3-13-5-8/h13H,2-5H2,1H3
InChIKeyAPTFOFTUXZEPRR-UHFFFAOYSA-N
MW263.22 g/mol
LogP-0.14
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone

2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (PubChem CID 107062058) has the molecular formula C9H12F3N5O and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
PubChem CID107062058
Molecular FormulaC9H12F3N5O
Molecular Weight263.22 g/mol
Exact Mass263.10
IUPAC Name2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
SMILESCn1nnc(CC(=O)C2(C(F)(F)F)CCNC2)n1
InChIInChI=1S/C9H12F3N5O/c1-17-15-7(14-16-17)4-6(18)8(9(10,11)12)2-3-13-5-8/h13H,2-5H2,1H3
InChIKeyAPTFOFTUXZEPRR-UHFFFAOYSA-N
XLogP-0.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Methylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061990
1-(4-Ethylpiperidin-4-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107061997
2-(2-Methyltetrazol-5-yl)-1-pyrrolidin-3-ylethanone
CID 107062001
1-(3-Methylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062021
1-(3-Ethylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062025
2-(2-Methyltetrazol-5-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 107062030
1-(4-Methylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062054
1-(2-Methyltetrazol-5-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 107062182
1-(2-Methylpyrrolidin-3-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107062278
2-(2-Methyltetrazol-5-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 107062561
(4-Methylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
CID 131021099
(3-Ethylpyrrolidin-3-yl)-(2-methyltetrazol-5-yl)methanone
CID 131071172

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone (CID 107062058) is 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is Cn1nnc(CC(=O)C2(C(F)(F)F)CCNC2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
The InChIKey is APTFOFTUXZEPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N5O/c1-17-15-7(14-16-17)4-6(18)8(9(10,11)12)2-3-13-5-8/h13H,2-5H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone?
2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone has a molecular weight of 263.22 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone is sourced from PubChem (CID 107062058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).