2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile

C17H14N6O — CID 168608920

IUPAC2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1cccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C17H14N6O/c18-8-13(9-19)15(10-20)22-14-5-3-4-12-11-21-23(17(12)14)16-6-1-2-7-24-16/h3-5,11,16,22H,1-2,6-7H2
InChIKeyHHSLUNNUBNNXRV-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.97
Rot. Bonds3

About 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile

2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile (PubChem CID 168608920) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile
PubChem CID168608920
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)Nc1cccc2cnn(C3CCCCO3)c12
InChIInChI=1S/C17H14N6O/c18-8-13(9-19)15(10-20)22-14-5-3-4-12-11-21-23(17(12)14)16-6-1-2-7-24-16/h3-5,11,16,22H,1-2,6-7H2
InChIKeyHHSLUNNUBNNXRV-UHFFFAOYSA-N
XLogP2.97
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

7-nitro-1-[(2R)-oxan-2-yl]indazole
CID 97052367
7-azido-1-(oxan-2-yl)indazole
CID 169325768
methyl 1-(2-hydroxyethyl)-4-[[1-(oxan-2-yl)indazol-7-yl]amino]-5-oxo-2H-pyrrole-3-carboxylate
CID 168563792
1-[(2S)-oxan-2-yl]indazole
CID 124562379
7-chloro-1-[(2S)-oxan-2-yl]indazol-5-amine
CID 167157773
CID 162044579
CID 162044579
2-[(2-cyclohexyl-1-oxo-3H-isoindol-4-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607913
tert-butyl N-[7-methoxy-1-(oxan-2-yl)indazol-6-yl]carbamate
CID 171597592
1-(oxan-2-yl)indazole-5-carbonitrile
CID 58125480
1-[6-methyl-1-(oxan-2-yl)indazol-7-yl]-2-oxocyclohexane-1-carboxylic acid
CID 146380372
5-methyl-1-(oxan-2-yl)indazol-6-ol
CID 137284218
2-[(2-methylquinolin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168606154

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile (CID 168608920) is 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)Nc1cccc2cnn(C3CCCCO3)c12.
What is the InChIKey of 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile?
The InChIKey is HHSLUNNUBNNXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-8-13(9-19)15(10-20)22-14-5-3-4-12-11-21-23(17(12)14)16-6-1-2-7-24-16/h3-5,11,16,22H,1-2,6-7H2.
What are the key properties of 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile?
2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile has a molecular weight of 318.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(oxan-2-yl)indazol-7-yl]amino]ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 168608920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).