4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile

C12H8N6O — CID 106403462

IUPAC4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCc1ncon1
InChIInChI=1S/C12H8N6O/c13-5-10-12(14-6-11-15-7-19-18-11)8-3-1-2-4-9(8)16-17-10/h1-4,7H,6H2,(H,14,16)
InChIKeyVMRDFQVJLWULJF-UHFFFAOYSA-N
MW252.24 g/mol
LogP1.50
Rot. Bonds3

About 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile

4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile (PubChem CID 106403462) has the molecular formula C12H8N6O and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile
PubChem CID106403462
Molecular FormulaC12H8N6O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile
SMILESN#Cc1nnc2ccccc2c1NCc1ncon1
InChIInChI=1S/C12H8N6O/c13-5-10-12(14-6-11-15-7-19-18-11)8-3-1-2-4-9(8)16-17-10/h1-4,7H,6H2,(H,14,16)
InChIKeyVMRDFQVJLWULJF-UHFFFAOYSA-N
XLogP1.50
TPSA100.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2,2,3-trimethylbutylamino)cinnoline-3-carbonitrile
CID 102609039
4-(1H-pyrazol-5-ylmethylamino)cinnoline-3-carbonitrile
CID 64900054
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]cinnoline-3-carbonitrile
CID 64900052
N-(1,2,4-oxadiazol-3-ylmethyl)quinolin-4-amine
CID 106402958
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952
4-(2-ethoxyethylamino)cinnoline-3-carbonitrile
CID 64900269
4-(2-pyridin-4-ylethylamino)cinnoline-3-carbonitrile
CID 64900702
4-[(2-ethyl-2-hydroxybutyl)amino]cinnoline-3-carbonitrile
CID 64982839
4-(5,5,5-trifluoropentylamino)cinnoline-3-carbonitrile
CID 115486555
4-(5-methylhexylamino)cinnoline-3-carbonitrile
CID 79002738
6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398793
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)quinazolin-4-amine
CID 106405493

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile (CID 106403462) is 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile is N#Cc1nnc2ccccc2c1NCc1ncon1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile?
The InChIKey is VMRDFQVJLWULJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N6O/c13-5-10-12(14-6-11-15-7-19-18-11)8-3-1-2-4-9(8)16-17-10/h1-4,7H,6H2,(H,14,16).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile?
4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile has a molecular weight of 252.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile is sourced from PubChem (CID 106403462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).