[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H15F3N4 — CID 79869330

IUPAC[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCc1nccn1-c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H15F3N4/c1-2-3-11-18-6-7-20(11)12-9(8-17)4-5-10(19-12)13(14,15)16/h4-7H,2-3,8,17H2,1H3
InChIKeyWFNXDKHYRYEXIJ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.70
Rot. Bonds4

About [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 79869330) has the molecular formula C13H15F3N4 and a molecular weight of 284.29 g/mol. Its IUPAC name is [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID79869330
Molecular FormulaC13H15F3N4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESCCCc1nccn1-c1nc(C(F)(F)F)ccc1CN
InChIInChI=1S/C13H15F3N4/c1-2-3-11-18-6-7-20(11)12-9(8-17)4-5-10(19-12)13(14,15)16/h4-7H,2-3,8,17H2,1H3
InChIKeyWFNXDKHYRYEXIJ-UHFFFAOYSA-N
XLogP2.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 79869330) is [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is CCCc1nccn1-c1nc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is WFNXDKHYRYEXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c1-2-3-11-18-6-7-20(11)12-9(8-17)4-5-10(19-12)13(14,15)16/h4-7H,2-3,8,17H2,1H3.
What are the key properties of [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 284.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-propylimidazol-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 79869330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).