5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

C24H30N10 — CID 135983838

IUPAC5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILESCCCCC(CC)c1nnc2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(C(C)(C)C)[nH]n12
InChIInChI=1S/C24H30N10/c1-6-8-11-16(7-2)21-30-31-23-19(20(24(3,4)5)32-34(21)23)28-29-22-17(14-25)15-27-33(22)18-12-9-10-13-26-18/h9-10,12-13,15-16,32H,6-8,11H2,1-5H3/b29-28+
InChIKeyFUJSDFDKRUDNKA-ZQHSETAFSA-N
MW458.57 g/mol
LogP5.91
Rot. Bonds8

About 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (PubChem CID 135983838) has the molecular formula C24H30N10 and a molecular weight of 458.57 g/mol. Its IUPAC name is 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
PubChem CID135983838
Molecular FormulaC24H30N10
Molecular Weight458.57 g/mol
Exact Mass458.27
IUPAC Name5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILESCCCCC(CC)c1nnc2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(C(C)(C)C)[nH]n12
InChIInChI=1S/C24H30N10/c1-6-8-11-16(7-2)21-30-31-23-19(20(24(3,4)5)32-34(21)23)28-29-22-17(14-25)15-27-33(22)18-12-9-10-13-26-18/h9-10,12-13,15-16,32H,6-8,11H2,1-5H3/b29-28+
InChIKeyFUJSDFDKRUDNKA-ZQHSETAFSA-N
XLogP5.91
TPSA125.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

CID 126480569
CID 126480569
CID 62706316
CID 62706316
CID 68353938
CID 68353938
CID 68353940
CID 68353940
CID 68353953
CID 68353953
CID 73426346
CID 73426346
CID 135922390
CID 135922390
CID 165414963
CID 165414963
CID 62706317
CID 62706317
CID 71450691
CID 71450691
CID 118713921
CID 118713921
CID 137634801
CID 137634801

Frequently Asked Questions

What is the IUPAC name of 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (CID 135983838) is 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is CCCCC(CC)c1nnc2c(/N=N/c3c(C#N)cnn3-c3ccccn3)c(C(C)(C)C)[nH]n12.
What is the InChIKey of 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The InChIKey is FUJSDFDKRUDNKA-ZQHSETAFSA-N. The full InChI is InChI=1S/C24H30N10/c1-6-8-11-16(7-2)21-30-31-23-19(20(24(3,4)5)32-34(21)23)28-29-22-17(14-25)15-27-33(22)18-12-9-10-13-26-18/h9-10,12-13,15-16,32H,6-8,11H2,1-5H3/b29-28+.
What are the key properties of 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile has a molecular weight of 458.57 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 135983838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).