N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine

C15H13F3N4 — CID 133421458

IUPACN-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C15H13F3N4/c16-15(17,18)13-5-6-14(22-21-13)19-8-7-11-9-10-3-1-2-4-12(10)20-11/h1-6,9,20H,7-8H2,(H,19,22)
InChIKeyLTRYDNWVCVVLDS-UHFFFAOYSA-N
MW306.29 g/mol
LogP3.63
Rot. Bonds4

About N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine

N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 133421458) has the molecular formula C15H13F3N4 and a molecular weight of 306.29 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID133421458
Molecular FormulaC15H13F3N4
Molecular Weight306.29 g/mol
Exact Mass306.11
IUPAC NameN-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine
SMILESFC(F)(F)c1ccc(NCCc2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C15H13F3N4/c16-15(17,18)13-5-6-14(22-21-13)19-8-7-11-9-10-3-1-2-4-12(10)20-11/h1-6,9,20H,7-8H2,(H,19,22)
InChIKeyLTRYDNWVCVVLDS-UHFFFAOYSA-N
XLogP3.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine (CID 133421458) is N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is FC(F)(F)c1ccc(NCCc2cc3ccccc3[nH]2)nn1.
What is the InChIKey of N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is LTRYDNWVCVVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4/c16-15(17,18)13-5-6-14(22-21-13)19-8-7-11-9-10-3-1-2-4-12(10)20-11/h1-6,9,20H,7-8H2,(H,19,22).
What are the key properties of N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine?
N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 306.29 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)ethyl]-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 133421458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).