7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole

C77H68N24O — CID 91176056

About 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole

7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole (PubChem CID 91176056) has the molecular formula C77H68N24O and a molecular weight of 1345.56 g/mol. Its IUPAC name is 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole.

Molecular Properties

• Compound Name: 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
• PubChem CID: 91176056
• Molecular Formula: C77H68N24O
• Molecular Weight: 1345.56 g/mol
• Exact Mass: 1344.60
• IUPAC Name: 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
• SMILES: COc1ccc(C=c2c(C)nn3c(-c4ccccn4)nnc23)cc1.Cc1cc(-c2nnc3c(=Cc4ccc(N(C)C)cc4)c(-c4ccccc4)nn23)nn1C.Cc1nn2c(-c3ccccn3)nnc2c1=Cc1ccc(N(C)C)nc1.Cc1nn2c(-c3ccccn3)nnc2c1=Cc1ccccc1
• InChI: InChI=1S/C24H23N7.C18H17N7.C18H15N5O.C17H13N5/c1-16-14-21(27-30(16)4)24-26-25-23-20(15-17-10-12-19(13-11-17)29(2)3)22(28-31(23)24)18-8-6-5-7-9-18;1-12-14(10-13-7-8-16(20-11-13)24(2)3)17-21-22-18(25(17)23-12)15-6-4-5-9-19-15;1-12-15(11-13-6-8-14(24-2)9-7-13)17-20-21-18(23(17)22-12)16-5-3-4-10-19-16;1-12-14(11-13-7-3-2-4-8-13)16-19-20-17(22(16)21-12)15-9-5-6-10-18-15/h5-15H,1-4H3;4-11H,1-3H3;3-11H,1-2H3;2-11H,1H3
• InChIKey: XAQVFDZRLPLLAC-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 257.41 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1345.56
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?

The IUPAC name of 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole (CID 91176056) is 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole.

What is the SMILES notation for 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?

The canonical SMILES for 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole is COc1ccc(C=c2c(C)nn3c(-c4ccccn4)nnc23)cc1.Cc1cc(-c2nnc3c(=Cc4ccc(N(C)C)cc4)c(-c4ccccc4)nn23)nn1C.Cc1nn2c(-c3ccccn3)nnc2c1=Cc1ccc(N(C)C)nc1.Cc1nn2c(-c3ccccn3)nnc2c1=Cc1ccccc1.

What is the InChIKey of 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?

The InChIKey is XAQVFDZRLPLLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7.C18H17N7.C18H15N5O.C17H13N5/c1-16-14-21(27-30(16)4)24-26-25-23-20(15-17-10-12-19(13-11-17)29(2)3)22(28-31(23)24)18-8-6-5-7-9-18;1-12-14(10-13-7-8-16(20-11-13)24(2)3)17-21-22-18(25(17)23-12)15-6-4-5-9-19-15;1-12-15(11-13-6-8-14(24-2)9-7-13)17-20-21-18(23(17)22-12)16-5-3-4-10-19-16;1-12-14(11-13-7-3-2-4-8-13)16-19-20-17(22(16)21-12)15-9-5-6-10-18-15/h5-15H,1-4H3;4-11H,1-3H3;3-11H,1-2H3;2-11H,1H3.

What are the key properties of 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole?

7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole has a molecular weight of 1345.56 g/mol, XLogP of 8.71, 12 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole is sourced from PubChem (CID 91176056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).