5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

C16H10N4O — CID 25218422

IUPAC5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
SMILESCc1[nH]nc2cccc(Oc3cc(C#N)cc(C#N)c3)c12
InChIInChI=1S/C16H10N4O/c1-10-16-14(20-19-10)3-2-4-15(16)21-13-6-11(8-17)5-12(7-13)9-18/h2-7H,1H3,(H,19,20)
InChIKeyBXHPUNFRXKKZLS-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.41
Rot. Bonds2

About 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile

5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (PubChem CID 25218422) has the molecular formula C16H10N4O and a molecular weight of 274.28 g/mol. Its IUPAC name is 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
PubChem CID25218422
Molecular FormulaC16H10N4O
Molecular Weight274.28 g/mol
Exact Mass274.09
IUPAC Name5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile
SMILESCc1[nH]nc2cccc(Oc3cc(C#N)cc(C#N)c3)c12
InChIInChI=1S/C16H10N4O/c1-10-16-14(20-19-10)3-2-4-15(16)21-13-6-11(8-17)5-12(7-13)9-18/h2-7H,1H3,(H,19,20)
InChIKeyBXHPUNFRXKKZLS-UHFFFAOYSA-N
XLogP3.41
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The IUPAC name of 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile (CID 25218422) is 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The canonical SMILES for 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile is Cc1[nH]nc2cccc(Oc3cc(C#N)cc(C#N)c3)c12.
What is the InChIKey of 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
The InChIKey is BXHPUNFRXKKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O/c1-10-16-14(20-19-10)3-2-4-15(16)21-13-6-11(8-17)5-12(7-13)9-18/h2-7H,1H3,(H,19,20).
What are the key properties of 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile?
5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile has a molecular weight of 274.28 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methyl-2H-indazol-4-yl)oxy]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 25218422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).