N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine

C19H16F3N7O — CID 10158765

IUPACN-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
SMILESNCCOc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)13-7-3-1-5-11(13)15-17(30-10-9-23)28-29-18(24-15)25-16-12-6-2-4-8-14(12)26-27-16/h1-8H,9-10,23H2,(H2,24,25,26,27,29)
InChIKeyFKDZYIGUXVWUOL-UHFFFAOYSA-N
MW415.38 g/mol
LogP3.51
Rot. Bonds6

About N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine

N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine (PubChem CID 10158765) has the molecular formula C19H16F3N7O and a molecular weight of 415.38 g/mol. Its IUPAC name is N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
PubChem CID10158765
Molecular FormulaC19H16F3N7O
Molecular Weight415.38 g/mol
Exact Mass415.14
IUPAC NameN-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine
SMILESNCCOc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C19H16F3N7O/c20-19(21,22)13-7-3-1-5-11(13)15-17(30-10-9-23)28-29-18(24-15)25-16-12-6-2-4-8-14(12)26-27-16/h1-8H,9-10,23H2,(H2,24,25,26,27,29)
InChIKeyFKDZYIGUXVWUOL-UHFFFAOYSA-N
XLogP3.51
TPSA114.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.38
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
The IUPAC name of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine (CID 10158765) is N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine.
What is the SMILES notation for N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
The canonical SMILES for N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine is NCCOc1nnc(Nc2n[nH]c3ccccc23)nc1-c1ccccc1C(F)(F)F.
What is the InChIKey of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
The InChIKey is FKDZYIGUXVWUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N7O/c20-19(21,22)13-7-3-1-5-11(13)15-17(30-10-9-23)28-29-18(24-15)25-16-12-6-2-4-8-14(12)26-27-16/h1-8H,9-10,23H2,(H2,24,25,26,27,29).
What are the key properties of N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine?
N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine has a molecular weight of 415.38 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethoxy)-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 10158765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).