(Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine

C15H17N7O2S2 — CID 51388617

IUPAC(Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccsc1/C=N\n1c(C)nnc1SCn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C15H17N7O2S2/c1-9-5-6-25-13(9)7-16-21-12(4)17-18-15(21)26-8-20-11(3)14(22(23)24)10(2)19-20/h5-7H,8H2,1-4H3/b16-7-
InChIKeyLYFMYFRXNADHMP-APSNUPSMSA-N
MW391.48 g/mol
LogP3.31
Rot. Bonds6

About (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine

(Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine (PubChem CID 51388617) has the molecular formula C15H17N7O2S2 and a molecular weight of 391.48 g/mol. Its IUPAC name is (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine
PubChem CID51388617
Molecular FormulaC15H17N7O2S2
Molecular Weight391.48 g/mol
Exact Mass391.09
IUPAC Name(Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine
SMILESCc1ccsc1/C=N\n1c(C)nnc1SCn1nc(C)c([N+](=O)[O-])c1C
InChIInChI=1S/C15H17N7O2S2/c1-9-5-6-25-13(9)7-16-21-12(4)17-18-15(21)26-8-20-11(3)14(22(23)24)10(2)19-20/h5-7H,8H2,1-4H3/b16-7-
InChIKeyLYFMYFRXNADHMP-APSNUPSMSA-N
XLogP3.31
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-methylphenyl)methanimine
CID 51388891
1-(4-bromothiophen-2-yl)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine
CID 71834236
(E)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(1-ethylpyrazol-3-yl)methanimine
CID 19586618
(Z)-1-[4-(difluoromethoxy)phenyl]-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]methanimine
CID 51388863
4-[(E)-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]iminomethyl]-2,6-dimethoxyphenol
CID 135645628
(E)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(4-phenylmethoxyphenyl)methanimine
CID 19586842
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 943228
3-(4,5-dibromothiophen-2-yl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-4-ethyl-1,2,4-triazole
CID 4773949
3-(difluoromethyl)-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 7018646
4-[(E)-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)iminomethyl]-6-nitrobenzene-1,3-diol
CID 135601538
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 102534000
4-[(Z)-(3-methyl-5-methylsulfanyl-1,2,4-triazol-4-yl)iminomethyl]-2-nitrophenol
CID 136874144

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine?
The IUPAC name of (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine (CID 51388617) is (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine.
What is the SMILES notation for (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine?
The canonical SMILES for (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine is Cc1ccsc1/C=N\n1c(C)nnc1SCn1nc(C)c([N+](=O)[O-])c1C.
What is the InChIKey of (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine?
The InChIKey is LYFMYFRXNADHMP-APSNUPSMSA-N. The full InChI is InChI=1S/C15H17N7O2S2/c1-9-5-6-25-13(9)7-16-21-12(4)17-18-15(21)26-8-20-11(3)14(22(23)24)10(2)19-20/h5-7H,8H2,1-4H3/b16-7-.
What are the key properties of (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine?
(Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine has a molecular weight of 391.48 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methylsulfanyl]-5-methyl-1,2,4-triazol-4-yl]-1-(3-methylthiophen-2-yl)methanimine is sourced from PubChem (CID 51388617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).