4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline

C11H10F3N5 — CID 55034010

IUPAC4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline
SMILESNc1ccc(-n2nnnc2C2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N5/c12-11(13,14)8-5-7(3-4-9(8)15)19-10(6-1-2-6)16-17-18-19/h3-6H,1-2,15H2
InChIKeyQGIGMGIUISLRTJ-UHFFFAOYSA-N
MW269.23 g/mol
LogP2.14
Rot. Bonds2

About 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline

4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline (PubChem CID 55034010) has the molecular formula C11H10F3N5 and a molecular weight of 269.23 g/mol. Its IUPAC name is 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline
PubChem CID55034010
Molecular FormulaC11H10F3N5
Molecular Weight269.23 g/mol
Exact Mass269.09
IUPAC Name4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline
SMILESNc1ccc(-n2nnnc2C2CC2)cc1C(F)(F)F
InChIInChI=1S/C11H10F3N5/c12-11(13,14)8-5-7(3-4-9(8)15)19-10(6-1-2-6)16-17-18-19/h3-6H,1-2,15H2
InChIKeyQGIGMGIUISLRTJ-UHFFFAOYSA-N
XLogP2.14
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline (CID 55034010) is 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline is Nc1ccc(-n2nnnc2C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
The InChIKey is QGIGMGIUISLRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N5/c12-11(13,14)8-5-7(3-4-9(8)15)19-10(6-1-2-6)16-17-18-19/h3-6H,1-2,15H2.
What are the key properties of 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline?
4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline has a molecular weight of 269.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 55034010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).