6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

C8H5N5 — CID 10773495

IUPAC6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#CCc1[nH]n2ccnc2c1C#N
InChIInChI=1S/C8H5N5/c9-2-1-7-6(5-10)8-11-3-4-13(8)12-7/h3-4,12H,1H2
InChIKeyWQDRKAQEYOKOGP-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.60
Rot. Bonds1

About 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile

6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (PubChem CID 10773495) has the molecular formula C8H5N5 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.

Molecular Properties

Compound Name6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
PubChem CID10773495
Molecular FormulaC8H5N5
Molecular Weight171.16 g/mol
Exact Mass171.05
IUPAC Name6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
SMILESN#CCc1[nH]n2ccnc2c1C#N
InChIInChI=1S/C8H5N5/c9-2-1-7-6(5-10)8-11-3-4-13(8)12-7/h3-4,12H,1H2
InChIKeyWQDRKAQEYOKOGP-UHFFFAOYSA-N
XLogP0.60
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The IUPAC name of 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile (CID 10773495) is 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile.
What is the SMILES notation for 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The canonical SMILES for 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is N#CCc1[nH]n2ccnc2c1C#N.
What is the InChIKey of 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
The InChIKey is WQDRKAQEYOKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N5/c9-2-1-7-6(5-10)8-11-3-4-13(8)12-7/h3-4,12H,1H2.
What are the key properties of 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile?
6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyanomethyl)-5H-imidazo[1,2-b]pyrazole-7-carbonitrile is sourced from PubChem (CID 10773495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).