N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C12H13F3N4 — CID 11777900

IUPACN-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCn1cnc(CCNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H13F3N4/c1-19-7-10(18-8-19)4-5-16-11-3-2-9(6-17-11)12(13,14)15/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyPZCSOJYMRPFAFZ-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.49
Rot. Bonds4

About N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 11777900) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID11777900
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC NameN-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCn1cnc(CCNc2ccc(C(F)(F)F)cn2)c1
InChIInChI=1S/C12H13F3N4/c1-19-7-10(18-8-19)4-5-16-11-3-2-9(6-17-11)12(13,14)15/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyPZCSOJYMRPFAFZ-UHFFFAOYSA-N
XLogP2.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 11777900) is N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is Cn1cnc(CCNc2ccc(C(F)(F)F)cn2)c1.
What is the InChIKey of N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PZCSOJYMRPFAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c1-19-7-10(18-8-19)4-5-16-11-3-2-9(6-17-11)12(13,14)15/h2-3,6-8H,4-5H2,1H3,(H,16,17).
What are the key properties of N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 270.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 11777900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).