3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile

C21H16N8 — CID 59420936

IUPAC3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
InChIInChI=1S/C21H16N8/c22-6-2-8-28-14-17(11-26-28)20-13-25-21-24-12-18(29(21)27-20)10-15-4-5-19-16(9-15)3-1-7-23-19/h1,3-5,7,9,11-14H,2,8,10H2
InChIKeyMILCIQZNIQHBBN-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.04
Rot. Bonds5

About 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile

3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile (PubChem CID 59420936) has the molecular formula C21H16N8 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile
PubChem CID59420936
Molecular FormulaC21H16N8
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC Name3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1
InChIInChI=1S/C21H16N8/c22-6-2-8-28-14-17(11-26-28)20-13-25-21-24-12-18(29(21)27-20)10-15-4-5-19-16(9-15)3-1-7-23-19/h1,3-5,7,9,11-14H,2,8,10H2
InChIKeyMILCIQZNIQHBBN-UHFFFAOYSA-N
XLogP3.04
TPSA97.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile (CID 59420936) is 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile is N#CCCn1cc(-c2cnc3ncc(Cc4ccc5ncccc5c4)n3n2)cn1.
What is the InChIKey of 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile?
The InChIKey is MILCIQZNIQHBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N8/c22-6-2-8-28-14-17(11-26-28)20-13-25-21-24-12-18(29(21)27-20)10-15-4-5-19-16(9-15)3-1-7-23-19/h1,3-5,7,9,11-14H,2,8,10H2.
What are the key properties of 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile?
3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile has a molecular weight of 380.42 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 59420936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).