2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine

C10H10F3N5 — CID 107048810

IUPAC2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCn1nnc(CC(N)c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C10H10F3N5/c1-18-16-9(15-17-18)4-8(14)5-2-6(11)10(13)7(12)3-5/h2-3,8H,4,14H2,1H3
InChIKeyWIHCXAAFGNCCCF-UHFFFAOYSA-N
MW257.22 g/mol
LogP0.87
Rot. Bonds3

About 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine

2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine (PubChem CID 107048810) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
PubChem CID107048810
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC Name2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine
SMILESCn1nnc(CC(N)c2cc(F)c(F)c(F)c2)n1
InChIInChI=1S/C10H10F3N5/c1-18-16-9(15-17-18)4-8(14)5-2-6(11)10(13)7(12)3-5/h2-3,8H,4,14H2,1H3
InChIKeyWIHCXAAFGNCCCF-UHFFFAOYSA-N
XLogP0.87
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048349
1-(3-bromophenyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107048405
1-(5-fluoro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050206
1-(2,5-dimethylpyrazol-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107065432
1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049641
2-(2-methyltetrazol-5-yl)-1-quinolin-2-ylethanamine
CID 107049175
1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107969527
2-(2-methyltetrazol-5-yl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107064971
[1-(2,4-difluorophenyl)-3-(2-methyltetrazol-5-yl)propan-2-yl]hydrazine
CID 107066099
1-(3,5-dichloro-2-pyridinyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107050223
1-(5-bromofuran-2-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107064809
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
The IUPAC name of 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine (CID 107048810) is 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
The canonical SMILES for 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine is Cn1nnc(CC(N)c2cc(F)c(F)c(F)c2)n1.
What is the InChIKey of 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
The InChIKey is WIHCXAAFGNCCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-18-16-9(15-17-18)4-8(14)5-2-6(11)10(13)7(12)3-5/h2-3,8H,4,14H2,1H3.
What are the key properties of 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine?
2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine has a molecular weight of 257.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyltetrazol-5-yl)-1-(3,4,5-trifluorophenyl)ethanamine is sourced from PubChem (CID 107048810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).