N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine

C13H15F3N4O — CID 106578670

IUPACN-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCOCC(C)n1ccnc1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H15F3N4O/c1-9(8-21-2)20-6-5-17-12(20)19-10-3-4-11(18-7-10)13(14,15)16/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeySNWMBDDOYTVPEN-UHFFFAOYSA-N
MW300.28 g/mol
LogP3.25
Rot. Bonds5

About N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine

N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine (PubChem CID 106578670) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine
PubChem CID106578670
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC NameN-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine
SMILESCOCC(C)n1ccnc1Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C13H15F3N4O/c1-9(8-21-2)20-6-5-17-12(20)19-10-3-4-11(18-7-10)13(14,15)16/h3-7,9H,8H2,1-2H3,(H,17,19)
InChIKeySNWMBDDOYTVPEN-UHFFFAOYSA-N
XLogP3.25
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine (CID 106578670) is N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine is COCC(C)n1ccnc1Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine?
The InChIKey is SNWMBDDOYTVPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-9(8-21-2)20-6-5-17-12(20)19-10-3-4-11(18-7-10)13(14,15)16/h3-7,9H,8H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine?
N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine has a molecular weight of 300.28 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-6-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 106578670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).