1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile

C10H6F3N5 — CID 106748221

IUPAC1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C10H6F3N5/c11-10(12,13)8-3-7(6(15)5-17-8)18-2-1-16-9(18)4-14/h1-3,5H,15H2
InChIKeyVNJJWEGGQGBURP-UHFFFAOYSA-N
MW253.19 g/mol
LogP1.74
Rot. Bonds1

About 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile

1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile (PubChem CID 106748221) has the molecular formula C10H6F3N5 and a molecular weight of 253.19 g/mol. Its IUPAC name is 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile.

Molecular Properties

Compound Name1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile
PubChem CID106748221
Molecular FormulaC10H6F3N5
Molecular Weight253.19 g/mol
Exact Mass253.06
IUPAC Name1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile
SMILESN#Cc1nccn1-c1cc(C(F)(F)F)ncc1N
InChIInChI=1S/C10H6F3N5/c11-10(12,13)8-3-7(6(15)5-17-8)18-2-1-16-9(18)4-14/h1-3,5H,15H2
InChIKeyVNJJWEGGQGBURP-UHFFFAOYSA-N
XLogP1.74
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile?
The IUPAC name of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile (CID 106748221) is 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile.
What is the SMILES notation for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile?
The canonical SMILES for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile is N#Cc1nccn1-c1cc(C(F)(F)F)ncc1N.
What is the InChIKey of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile?
The InChIKey is VNJJWEGGQGBURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5/c11-10(12,13)8-3-7(6(15)5-17-8)18-2-1-16-9(18)4-14/h1-3,5H,15H2.
What are the key properties of 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile?
1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile has a molecular weight of 253.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]imidazole-2-carbonitrile is sourced from PubChem (CID 106748221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).