N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline

C16H13F3N6 — CID 9069122

IUPACN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline
SMILESC/C(=N/Nc1ccccc1C(F)(F)F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13F3N6/c1-11(12-5-4-6-13(9-12)25-10-20-23-24-25)21-22-15-8-3-2-7-14(15)16(17,18)19/h2-10,22H,1H3/b21-11-
InChIKeyOIXHDLRBYXGAII-NHDPSOOVSA-N
MW346.32 g/mol
LogP3.52
Rot. Bonds4

About N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline

N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline (PubChem CID 9069122) has the molecular formula C16H13F3N6 and a molecular weight of 346.32 g/mol. Its IUPAC name is N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline
PubChem CID9069122
Molecular FormulaC16H13F3N6
Molecular Weight346.32 g/mol
Exact Mass346.12
IUPAC NameN-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline
SMILESC/C(=N/Nc1ccccc1C(F)(F)F)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H13F3N6/c1-11(12-5-4-6-13(9-12)25-10-20-23-24-25)21-22-15-8-3-2-7-14(15)16(17,18)19/h2-10,22H,1H3/b21-11-
InChIKeyOIXHDLRBYXGAII-NHDPSOOVSA-N
XLogP3.52
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridin-2-amine
CID 9121680
4-hydroxy-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9072699
2-bromo-N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
CID 9016446
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 6285513
2-(trifluoromethyl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)ethylideneamino]aniline
CID 7066795
N-(2-methylphenyl)-3-(tetrazol-1-yl)benzamide
CID 862130
N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(tetrazol-1-yl)benzamide
CID 55642801
1-(3,4-dimethoxyphenyl)-3-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]thiourea
CID 9216221
3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91819084
2-(4-bromophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726615
2-chloro-N-[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]aniline
CID 16555887
2-(2-nitrophenoxy)-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]acetamide
CID 44726598

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline (CID 9069122) is N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline is C/C(=N/Nc1ccccc1C(F)(F)F)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline?
The InChIKey is OIXHDLRBYXGAII-NHDPSOOVSA-N. The full InChI is InChI=1S/C16H13F3N6/c1-11(12-5-4-6-13(9-12)25-10-20-23-24-25)21-22-15-8-3-2-7-14(15)16(17,18)19/h2-10,22H,1H3/b21-11-.
What are the key properties of N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline?
N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline has a molecular weight of 346.32 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 9069122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).