N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline

C10H10F3N5 — CID 134954167

IUPACN,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline
SMILESCN(C)c1ccc(-n2nnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C10H10F3N5/c1-17(2)7-3-5-8(6-4-7)18-15-9(14-16-18)10(11,12)13/h3-6H,1-2H3
InChIKeyCCKVIFNSKRCWFC-UHFFFAOYSA-N
MW257.22 g/mol
LogP1.75
Rot. Bonds2

About N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline

N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline (PubChem CID 134954167) has the molecular formula C10H10F3N5 and a molecular weight of 257.22 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline
PubChem CID134954167
Molecular FormulaC10H10F3N5
Molecular Weight257.22 g/mol
Exact Mass257.09
IUPAC NameN,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline
SMILESCN(C)c1ccc(-n2nnc(C(F)(F)F)n2)cc1
InChIInChI=1S/C10H10F3N5/c1-17(2)7-3-5-8(6-4-7)18-15-9(14-16-18)10(11,12)13/h3-6H,1-2H3
InChIKeyCCKVIFNSKRCWFC-UHFFFAOYSA-N
XLogP1.75
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline (CID 134954167) is N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline is CN(C)c1ccc(-n2nnc(C(F)(F)F)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline?
The InChIKey is CCKVIFNSKRCWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5/c1-17(2)7-3-5-8(6-4-7)18-15-9(14-16-18)10(11,12)13/h3-6H,1-2H3.
What are the key properties of N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline?
N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline has a molecular weight of 257.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(trifluoromethyl)tetrazol-2-yl]aniline is sourced from PubChem (CID 134954167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).