4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline

C10H10F3N5 — CID 43617261

IUPAC4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline
SMILESCCc1nnnn1-c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5/c1-2-9-15-16-17-18(9)6-3-4-8(14)7(5-6)10(11,12)13/h3-5H,2,14H2,1H3
InChIKeyBVINEFFVZRRQSI-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.83
Rot. Bonds2

About 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline

4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline (PubChem CID 43617261) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline
PubChem CID43617261
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline
SMILESCCc1nnnn1-c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C10H10F3N5/c1-2-9-15-16-17-18(9)6-3-4-8(14)7(5-6)10(11,12)13/h3-5H,2,14H2,1H3
InChIKeyBVINEFFVZRRQSI-UHFFFAOYSA-N
XLogP1.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline
CID 55034010
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 62763682
2-[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]ethanamine
CID 82227993
1-(4-bromo-3-fluorophenyl)-5-ethyltetrazole
CID 65431446
N-[[1-[4-chloro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-1-amine
CID 62737745
N-[[1-[4-methyl-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]propan-2-amine
CID 62762257
2-(5-ethyltetrazol-1-yl)-4,5-dimethylaniline
CID 62097935
2-bromo-5-(5-propyltetrazol-1-yl)aniline
CID 79768330
5-[5-(chloromethyl)tetrazol-1-yl]-2-(trifluoromethyl)benzonitrile
CID 86691875
4-(3,3-dipropylazetidin-1-yl)-2-(trifluoromethyl)aniline
CID 79690563
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
CID 72716165

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline (CID 43617261) is 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline is CCc1nnnn1-c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
The InChIKey is BVINEFFVZRRQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-2-9-15-16-17-18(9)6-3-4-8(14)7(5-6)10(11,12)13/h3-5H,2,14H2,1H3.
What are the key properties of 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline has a molecular weight of 257.22 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyltetrazol-1-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 43617261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).