[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride

C9H9ClF3N5 — CID 72716165

IUPAC[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3N5.ClH/c10-9(11,12)6-2-1-3-7(4-6)17-8(5-13)14-15-16-17;/h1-4H,5,13H2;1H
InChIKeyXEGORBXGQNWZAE-UHFFFAOYSA-N
MW279.65 g/mol
LogP1.56
Rot. Bonds2

About [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride

[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride (PubChem CID 72716165) has the molecular formula C9H9ClF3N5 and a molecular weight of 279.65 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
PubChem CID72716165
Molecular FormulaC9H9ClF3N5
Molecular Weight279.65 g/mol
Exact Mass279.05
IUPAC Name[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride
SMILESCl.NCc1nnnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H8F3N5.ClH/c10-9(11,12)6-2-1-3-7(4-6)17-8(5-13)14-15-16-17;/h1-4H,5,13H2;1H
InChIKeyXEGORBXGQNWZAE-UHFFFAOYSA-N
XLogP1.56
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-1-[3-(trifluoromethyl)phenyl]tetrazole
CID 3727571
3,3-dimethyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 66654385
1-ethyl-2,2-dimethyl-4-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 56600336
4-ethyl-2-methyl-1-[[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]piperazine
CID 118319174
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
N-[(1-phenyltetrazol-5-yl)methyl]-3-(trifluoromethyl)benzamide
CID 22579909
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
3-[[5-(aminomethyl)-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]propan-1-ol;hydrochloride
CID 154906282
[1-(2,6-dimethylphenyl)tetrazol-5-yl]methanamine
CID 62736812
[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30857653
3-(5-ethyltetrazol-1-yl)aniline
CID 43424026
5-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 107447268

Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride (CID 72716165) is [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride is Cl.NCc1nnnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride?
The InChIKey is XEGORBXGQNWZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5.ClH/c10-9(11,12)6-2-1-3-7(4-6)17-8(5-13)14-15-16-17;/h1-4H,5,13H2;1H.
What are the key properties of [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride?
[1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride has a molecular weight of 279.65 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)phenyl]tetrazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 72716165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).