N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H13F3N8 — CID 126484407

IUPACN-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccnc(-c4ccn[nH]4)c3)c3cccn3n2)n1
InChIInChI=1S/C20H13F3N8/c21-20(22,23)17-5-1-3-14(27-17)18-28-19(16-4-2-10-31(16)30-18)26-12-6-8-24-15(11-12)13-7-9-25-29-13/h1-11H,(H,25,29)(H,24,26,28,30)
InChIKeyMJHGQYAUAZQHKT-UHFFFAOYSA-N
MW422.37 g/mol
LogP4.34
Rot. Bonds4

About N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 126484407) has the molecular formula C20H13F3N8 and a molecular weight of 422.37 g/mol. Its IUPAC name is N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID126484407
Molecular FormulaC20H13F3N8
Molecular Weight422.37 g/mol
Exact Mass422.12
IUPAC NameN-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESFC(F)(F)c1cccc(-c2nc(Nc3ccnc(-c4ccn[nH]4)c3)c3cccn3n2)n1
InChIInChI=1S/C20H13F3N8/c21-20(22,23)17-5-1-3-14(27-17)18-28-19(16-4-2-10-31(16)30-18)26-12-6-8-24-15(11-12)13-7-9-25-29-13/h1-11H,(H,25,29)(H,24,26,28,30)
InChIKeyMJHGQYAUAZQHKT-UHFFFAOYSA-N
XLogP4.34
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 126484407) is N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is FC(F)(F)c1cccc(-c2nc(Nc3ccnc(-c4ccn[nH]4)c3)c3cccn3n2)n1.
What is the InChIKey of N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is MJHGQYAUAZQHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N8/c21-20(22,23)17-5-1-3-14(27-17)18-28-19(16-4-2-10-31(16)30-18)26-12-6-8-24-15(11-12)13-7-9-25-29-13/h1-11H,(H,25,29)(H,24,26,28,30).
What are the key properties of N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 422.37 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-pyrazol-5-yl)-4-pyridinyl]-2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 126484407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).