(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide

C21H19N7O — CID 90349290

IUPAC(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide
SMILESCc1cc(C)cc(-c2ncn(/C=C\C(=O)NNc3cnc4ccccc4n3)n2)c1
InChIInChI=1S/C21H19N7O/c1-14-9-15(2)11-16(10-14)21-23-13-28(27-21)8-7-20(29)26-25-19-12-22-17-5-3-4-6-18(17)24-19/h3-13H,1-2H3,(H,24,25)(H,26,29)/b8-7-
InChIKeyAHPNKQSHFBRRIC-FPLPWBNLSA-N
MW385.43 g/mol
LogP3.12
Rot. Bonds5

About (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide

(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide (PubChem CID 90349290) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide
PubChem CID90349290
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide
SMILESCc1cc(C)cc(-c2ncn(/C=C\C(=O)NNc3cnc4ccccc4n3)n2)c1
InChIInChI=1S/C21H19N7O/c1-14-9-15(2)11-16(10-14)21-23-13-28(27-21)8-7-20(29)26-25-19-12-22-17-5-3-4-6-18(17)24-19/h3-13H,1-2H3,(H,24,25)(H,26,29)/b8-7-
InChIKeyAHPNKQSHFBRRIC-FPLPWBNLSA-N
XLogP3.12
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 71481097
CID 71481097
CID 71492799
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CID 71493320
CID 71493320
CID 71699892
CID 71699892
CID 71699917
CID 71699917
CID 71699921
CID 71699921
CID 71699927
CID 71699927
CID 77987108
CID 77987108
CID 126673252
CID 126673252
CID 50915989
CID 50915989
CID 71699881
CID 71699881
CID 71699909
CID 71699909

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?
The IUPAC name of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide (CID 90349290) is (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide.
What is the SMILES notation for (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?
The canonical SMILES for (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide is Cc1cc(C)cc(-c2ncn(/C=C\C(=O)NNc3cnc4ccccc4n3)n2)c1.
What is the InChIKey of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?
The InChIKey is AHPNKQSHFBRRIC-FPLPWBNLSA-N. The full InChI is InChI=1S/C21H19N7O/c1-14-9-15(2)11-16(10-14)21-23-13-28(27-21)8-7-20(29)26-25-19-12-22-17-5-3-4-6-18(17)24-19/h3-13H,1-2H3,(H,24,25)(H,26,29)/b8-7-.
What are the key properties of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?
(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide has a molecular weight of 385.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide is sourced from PubChem (CID 90349290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).