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

C18H18N6O — CID 118562760

IUPAC(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
SMILESCc1cc(C)cc(-c2ncn(/C=C\C(=O)NNc3ccncc3)n2)c1
InChIInChI=1S/C18H18N6O/c1-13-9-14(2)11-15(10-13)18-20-12-24(23-18)8-5-17(25)22-21-16-3-6-19-7-4-16/h3-12H,1-2H3,(H,19,21)(H,22,25)/b8-5-
InChIKeyZYTNTLKYEWPMSW-YVMONPNESA-N
MW334.38 g/mol
LogP2.57
Rot. Bonds5

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

(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide (PubChem CID 118562760) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide.

Molecular Properties

Compound Name(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
PubChem CID118562760
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
SMILESCc1cc(C)cc(-c2ncn(/C=C\C(=O)NNc3ccncc3)n2)c1
InChIInChI=1S/C18H18N6O/c1-13-9-14(2)11-15(10-13)18-20-12-24(23-18)8-5-17(25)22-21-16-3-6-19-7-4-16/h3-12H,1-2H3,(H,19,21)(H,22,25)/b8-5-
InChIKeyZYTNTLKYEWPMSW-YVMONPNESA-N
XLogP2.57
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

bis((Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-2-ylprop-2-enehydrazide);hydrochloride
CID 159144861
(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide
CID 90349290
(Z)-4-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]but-3-en-2-one
CID 159085340
2,2-dimethyl-N'-[(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoyl]propanehydrazide
CID 118028760
N'-[(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoyl]oxolane-3-carbohydrazide
CID 161209762
(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-(2-pyridin-3-ylacetyl)prop-2-enehydrazide
CID 118281110
(Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide
CID 90349263
tert-butyl N-[3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoylamino]carbamate
CID 146156025
(Z)-3-[3-[3-(pentafluoro-λ6-sulfanyl)-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-propanoylprop-2-enehydrazide
CID 146270574
(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-pyrrolidin-1-ylprop-2-en-1-one
CID 122518087
(Z)-2-bromo-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid
CID 121367952
(E)-2-bromo-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]prop-2-enoic acid
CID 121367955

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?
The IUPAC name of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide (CID 118562760) is (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide.
What is the SMILES notation for (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?
The canonical SMILES for (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide is Cc1cc(C)cc(-c2ncn(/C=C\C(=O)NNc3ccncc3)n2)c1.
What is the InChIKey of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?
The InChIKey is ZYTNTLKYEWPMSW-YVMONPNESA-N. The full InChI is InChI=1S/C18H18N6O/c1-13-9-14(2)11-15(10-13)18-20-12-24(23-18)8-5-17(25)22-21-16-3-6-19-7-4-16/h3-12H,1-2H3,(H,19,21)(H,22,25)/b8-5-.
What are the key properties of (Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?
(Z)-3-[3-(3,5-dimethylphenyl)-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide has a molecular weight of 334.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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'-pyridin-4-ylprop-2-enehydrazide is sourced from PubChem (CID 118562760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).