2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline

C17H14F3N5O — CID 7285280

IUPAC2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline
SMILESCOc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccccc1
InChIInChI=1S/C17H14F3N5O/c1-26-15-8-7-12(17(18,19)20)11-14(15)21-10-9-16-22-23-24-25(16)13-5-3-2-4-6-13/h2-11,21H,1H3/b10-9-
InChIKeyURUFGSATINYLFR-KTKRTIGZSA-N
MW361.33 g/mol
LogP3.77
Rot. Bonds5

About 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline

2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline (PubChem CID 7285280) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline
PubChem CID7285280
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline
SMILESCOc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccccc1
InChIInChI=1S/C17H14F3N5O/c1-26-15-8-7-12(17(18,19)20)11-14(15)21-10-9-16-22-23-24-25(16)13-5-3-2-4-6-13/h2-11,21H,1H3/b10-9-
InChIKeyURUFGSATINYLFR-KTKRTIGZSA-N
XLogP3.77
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline?
The IUPAC name of 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline (CID 7285280) is 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline is COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccccc1.
What is the InChIKey of 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline?
The InChIKey is URUFGSATINYLFR-KTKRTIGZSA-N. The full InChI is InChI=1S/C17H14F3N5O/c1-26-15-8-7-12(17(18,19)20)11-14(15)21-10-9-16-22-23-24-25(16)13-5-3-2-4-6-13/h2-11,21H,1H3/b10-9-.
What are the key properties of 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline?
2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline has a molecular weight of 361.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]-5-(trifluoromethyl)aniline is sourced from PubChem (CID 7285280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).