N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine

C10H10F3N5 — CID 62809896

IUPACN-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3N5/c1-2-14-5-10-15-16-17-18(10)9-4-7(12)6(11)3-8(9)13/h3-4,14H,2,5H2,1H3
InChIKeyQYGGLPZVIBUVIZ-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.19
Rot. Bonds4

About N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62809896) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62809896
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1-c1cc(F)c(F)cc1F
InChIInChI=1S/C10H10F3N5/c1-2-14-5-10-15-16-17-18(10)9-4-7(12)6(11)3-8(9)13/h3-4,14H,2,5H2,1H3
InChIKeyQYGGLPZVIBUVIZ-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(2-fluoro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736639
N-[[1-(2,3,5,6-tetrafluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 107646049
N-[[1-(2,3,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 62813971
N-[[1-(2-chloro-4-fluorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 55109239
N-[[1-(2-bromo-5-chlorophenyl)tetrazol-5-yl]methyl]ethanamine
CID 81275457
N-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]ethanamine
CID 62763682
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 113445682
N-[[1-(5-chloro-2,4-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736289
5-(5-ethyltetrazol-1-yl)-2,4-difluorobenzoic acid
CID 60827521
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
CID 3031919
N-[[1-(4-chloro-2-methoxy-5-methylphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736292

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine (CID 62809896) is N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1-c1cc(F)c(F)cc1F.
What is the InChIKey of N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is QYGGLPZVIBUVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-2-14-5-10-15-16-17-18(10)9-4-7(12)6(11)3-8(9)13/h3-4,14H,2,5H2,1H3.
What are the key properties of N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 257.22 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4,5-trifluorophenyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62809896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).