6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C20H19N7O — CID 118711891

IUPAC6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)nc4)cc23)ccn1
InChIInChI=1S/C20H19N7O/c1-2-19(26-7-9-28-10-8-26)22-12-15(1)16-11-18-20(23-14-24-27(18)13-16)25-17-3-5-21-6-4-17/h1-6,11-14H,7-10H2,(H,21,23,24,25)
InChIKeyHKLLGQOCDSVIKC-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.77
Rot. Bonds4

About 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 118711891) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID118711891
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)nc4)cc23)ccn1
InChIInChI=1S/C20H19N7O/c1-2-19(26-7-9-28-10-8-26)22-12-15(1)16-11-18-20(23-14-24-27(18)13-16)25-17-3-5-21-6-4-17/h1-6,11-14H,7-10H2,(H,21,23,24,25)
InChIKeyHKLLGQOCDSVIKC-UHFFFAOYSA-N
XLogP2.77
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 118711891) is 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1cc(Nc2ncnn3cc(-c4ccc(N5CCOCC5)nc4)cc23)ccn1.
What is the InChIKey of 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is HKLLGQOCDSVIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-2-19(26-7-9-28-10-8-26)22-12-15(1)16-11-18-20(23-14-24-27(18)13-16)25-17-3-5-21-6-4-17/h1-6,11-14H,7-10H2,(H,21,23,24,25).
What are the key properties of 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 373.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-morpholin-4-yl-3-pyridinyl)-N-pyridin-4-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 118711891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).