1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine

C9H9F3N6 — CID 4727833

IUPAC1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3N6/c10-9(11,12)7-4-2-1-3-6(7)5-14-18-8(13)15-16-17-18/h1-4,14H,5H2,(H2,13,15,17)
InChIKeyKWZYUSKBZNKJBY-UHFFFAOYSA-N
MW258.21 g/mol
LogP1.02
Rot. Bonds3

About 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine

1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine (PubChem CID 4727833) has the molecular formula C9H9F3N6 and a molecular weight of 258.21 g/mol. Its IUPAC name is 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine.

Molecular Properties

Compound Name1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine
PubChem CID4727833
Molecular FormulaC9H9F3N6
Molecular Weight258.21 g/mol
Exact Mass258.08
IUPAC Name1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine
SMILESNc1nnnn1NCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H9F3N6/c10-9(11,12)7-4-2-1-3-6(7)5-14-18-8(13)15-16-17-18/h1-4,14H,5H2,(H2,13,15,17)
InChIKeyKWZYUSKBZNKJBY-UHFFFAOYSA-N
XLogP1.02
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine 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 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine?
The IUPAC name of 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine (CID 4727833) is 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine.
What is the SMILES notation for 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine?
The canonical SMILES for 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine is Nc1nnnn1NCc1ccccc1C(F)(F)F.
What is the InChIKey of 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine?
The InChIKey is KWZYUSKBZNKJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N6/c10-9(11,12)7-4-2-1-3-6(7)5-14-18-8(13)15-16-17-18/h1-4,14H,5H2,(H2,13,15,17).
What are the key properties of 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine?
1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine has a molecular weight of 258.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-(trifluoromethyl)phenyl]methyl]tetrazole-1,5-diamine is sourced from PubChem (CID 4727833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).