N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine

C9H8F3N5 — CID 4726734

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
SMILESFC(F)(F)c1ccccc1CNc1nn[nH]n1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)7-4-2-1-3-6(7)5-13-8-14-16-17-15-8/h1-4H,5H2,(H2,13,14,15,16,17)
InChIKeyPODSOZRFVRUDMM-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.83
Rot. Bonds3

About N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine

N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine (PubChem CID 4726734) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
PubChem CID4726734
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine
SMILESFC(F)(F)c1ccccc1CNc1nn[nH]n1
InChIInChI=1S/C9H8F3N5/c10-9(11,12)7-4-2-1-3-6(7)5-13-8-14-16-17-15-8/h1-4H,5H2,(H2,13,14,15,16,17)
InChIKeyPODSOZRFVRUDMM-UHFFFAOYSA-N
XLogP1.83
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 66274945
N-[(2-methoxyphenyl)methyl]-2H-tetrazol-5-amine
CID 961498
3,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-4-amine
CID 43547425
N-[(2,3-dichlorophenyl)methyl]-2H-tetrazol-5-amine
CID 4725567
5-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 64624741
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
2-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbothioamide
CID 107547347
6-[[2-(trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxamide
CID 79109187
2,3-difluoro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 61075903
4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 78885226
2-N-(4-tert-butylphenyl)-6-chloro-4-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 11154803

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine (CID 4726734) is N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine is FC(F)(F)c1ccccc1CNc1nn[nH]n1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine?
The InChIKey is PODSOZRFVRUDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c10-9(11,12)7-4-2-1-3-6(7)5-13-8-14-16-17-15-8/h1-4H,5H2,(H2,13,14,15,16,17).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine?
N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine has a molecular weight of 243.19 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]-2H-tetrazol-5-amine is sourced from PubChem (CID 4726734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).