ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile

C8H9N5 — CID 143126442

IUPACethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile
SMILESCC.N#Cc1cnn2ccnc2n1
InChIInChI=1S/C6H3N5.C2H6/c7-3-5-4-9-11-2-1-8-6(11)10-5;1-2/h1-2,4H;1-2H3
InChIKeyCSHMWCRNBYQSGB-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.02
Rot. Bonds

About ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile

ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile (PubChem CID 143126442) has the molecular formula C8H9N5 and a molecular weight of 175.19 g/mol. Its IUPAC name is ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile.

Molecular Properties

Compound Nameethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile
PubChem CID143126442
Molecular FormulaC8H9N5
Molecular Weight175.19 g/mol
Exact Mass175.09
IUPAC Nameethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile
SMILESCC.N#Cc1cnn2ccnc2n1
InChIInChI=1S/C6H3N5.C2H6/c7-3-5-4-9-11-2-1-8-6(11)10-5;1-2/h1-2,4H;1-2H3
InChIKeyCSHMWCRNBYQSGB-UHFFFAOYSA-N
XLogP1.02
TPSA66.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-tert-butylimidazo[1,2-b][1,2,4]triazine;hydrate;hydrochloride
CID 67093477
3-tert-butylimidazo[1,2-b][1,2,4]triazine
CID 22329563
[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonitrile
CID 162521908
triazolo[1,5-a]pyrazine-4-carbonitrile
CID 121350823
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 819275
ethane;4-methylpyrazolo[1,5-a]pyrazine
CID 145108173
ethane;5-methanidylpyridine-2-carbonitrile;yttrium
CID 169217341
5,6-difluoropyrazine-2-carbonitrile
CID 175065901
ethane;pyridine-2-carbonitrile
CID 90851694
6-methylpyrazine-2-carbonitrile
CID 23273385
6-(2-methylimidazol-1-yl)pyridine-2-carbonitrile
CID 64587826
3-formylpyrazolo[1,5-a]pyrimidine-5-carbonitrile
CID 130047076

Frequently Asked Questions

What is the IUPAC name of ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile?
The IUPAC name of ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile (CID 143126442) is ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile.
What is the SMILES notation for ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile?
The canonical SMILES for ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile is CC.N#Cc1cnn2ccnc2n1.
What is the InChIKey of ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile?
The InChIKey is CSHMWCRNBYQSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N5.C2H6/c7-3-5-4-9-11-2-1-8-6(11)10-5;1-2/h1-2,4H;1-2H3.
What are the key properties of ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile?
ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile has a molecular weight of 175.19 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;imidazo[1,2-b][1,2,4]triazine-3-carbonitrile is sourced from PubChem (CID 143126442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).