5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

C18H19N9 — CID 58106230

IUPAC5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(N(C)C)cc(C)c1/N=N/c1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C18H19N9/c1-12-9-15(26(3)4)23-17(20-2)16(12)24-25-18-13(10-19)11-22-27(18)14-7-5-6-8-21-14/h5-9,11H,1-4H3,(H,20,23)/b25-24+
InChIKeyOHHWFKTWTAMSGM-OCOZRVBESA-N
MW361.41 g/mol
LogP3.37
Rot. Bonds5

About 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile

5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (PubChem CID 58106230) has the molecular formula C18H19N9 and a molecular weight of 361.41 g/mol. Its IUPAC name is 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
PubChem CID58106230
Molecular FormulaC18H19N9
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC Name5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile
SMILESCNc1nc(N(C)C)cc(C)c1/N=N/c1c(C#N)cnn1-c1ccccn1
InChIInChI=1S/C18H19N9/c1-12-9-15(26(3)4)23-17(20-2)16(12)24-25-18-13(10-19)11-22-27(18)14-7-5-6-8-21-14/h5-9,11H,1-4H3,(H,20,23)/b25-24+
InChIKeyOHHWFKTWTAMSGM-OCOZRVBESA-N
XLogP3.37
TPSA107.38 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The IUPAC name of 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile (CID 58106230) is 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is CNc1nc(N(C)C)cc(C)c1/N=N/c1c(C#N)cnn1-c1ccccn1.
What is the InChIKey of 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
The InChIKey is OHHWFKTWTAMSGM-OCOZRVBESA-N. The full InChI is InChI=1S/C18H19N9/c1-12-9-15(26(3)4)23-17(20-2)16(12)24-25-18-13(10-19)11-22-27(18)14-7-5-6-8-21-14/h5-9,11H,1-4H3,(H,20,23)/b25-24+.
What are the key properties of 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile?
5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile has a molecular weight of 361.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]-1-pyridin-2-ylpyrazole-4-carbonitrile is sourced from PubChem (CID 58106230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).