furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone

C16H11N5O2 — CID 118711850

IUPACfuran-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone
SMILESO=C(c1ccoc1)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C16H11N5O2/c22-15(11-3-6-23-9-11)12-7-14-16(18-10-19-21(14)8-12)20-13-1-4-17-5-2-13/h1-10H,(H,17,18,19,20)
InChIKeyPXDLRQSNBSKIRW-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.69
Rot. Bonds4

About furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone

furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone (PubChem CID 118711850) has the molecular formula C16H11N5O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone
PubChem CID118711850
Molecular FormulaC16H11N5O2
Molecular Weight305.30 g/mol
Exact Mass305.09
IUPAC Namefuran-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone
SMILESO=C(c1ccoc1)c1cc2c(Nc3ccncc3)ncnn2c1
InChIInChI=1S/C16H11N5O2/c22-15(11-3-6-23-9-11)12-7-14-16(18-10-19-21(14)8-12)20-13-1-4-17-5-2-13/h1-10H,(H,17,18,19,20)
InChIKeyPXDLRQSNBSKIRW-UHFFFAOYSA-N
XLogP2.69
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
The IUPAC name of furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone (CID 118711850) is furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone is O=C(c1ccoc1)c1cc2c(Nc3ccncc3)ncnn2c1.
What is the InChIKey of furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
The InChIKey is PXDLRQSNBSKIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O2/c22-15(11-3-6-23-9-11)12-7-14-16(18-10-19-21(14)8-12)20-13-1-4-17-5-2-13/h1-10H,(H,17,18,19,20).
What are the key properties of furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone?
furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone has a molecular weight of 305.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(pyridin-4-ylamino)pyrrolo[2,1-f][1,2,4]triazin-6-yl]methanone is sourced from PubChem (CID 118711850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).