2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C17H17F3N6 — CID 135372071

IUPAC2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESNCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)12-6-8-13(9-7-12)22-15-5-2-1-4-14(15)16-23-25-26(24-16)11-3-10-21/h1-2,4-9,22H,3,10-11,21H2
InChIKeyICQXBLAHIAPTGI-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.45
Rot. Bonds6

About 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 135372071) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID135372071
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESNCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6/c18-17(19,20)12-6-8-13(9-7-12)22-15-5-2-1-4-14(15)16-23-25-26(24-16)11-3-10-21/h1-2,4-9,22H,3,10-11,21H2
InChIKeyICQXBLAHIAPTGI-UHFFFAOYSA-N
XLogP3.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 135372071) is 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is NCCCn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is ICQXBLAHIAPTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)12-6-8-13(9-7-12)22-15-5-2-1-4-14(15)16-23-25-26(24-16)11-3-10-21/h1-2,4-9,22H,3,10-11,21H2.
What are the key properties of 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 362.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).