N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole

C132H172N24O — CID 159977169

IUPACN-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
SMILESCC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(/N=N/[H])c1cccc(C(C)(C)C)c1C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C
InChIInChI=1S/2C14H18N2.C14H20N2.C14H17NO.2C13H17N3.2C13H16N2.C12H18N4.C12H15N3/c1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-9-10(12(2,3)4)6-5-7-11(9)16(8-13)15-14;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h2*5-10H,1-4H3;6-10,15H,1H2,2-5H3;3*5-9H,1-4H3;2*4-10H,1-3H3;5-8,13-14H,1-4H3;4-9H,1-3H3/b;;15-10+;;;;;;13-8+,15-14+;
InChIKeyOFHMZDCXUDDULS-BPTCXNHISA-N
MW2110.99 g/mol
LogP33.06
Rot. Bonds14

About N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole

N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole (PubChem CID 159977169) has the molecular formula C132H172N24O and a molecular weight of 2110.99 g/mol. Its IUPAC name is N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole.

Molecular Properties

Compound NameN-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
PubChem CID159977169
Molecular FormulaC132H172N24O
Molecular Weight2110.99 g/mol
Exact Mass2109.41
IUPAC NameN-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole
SMILESCC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(/N=N/[H])c1cccc(C(C)(C)C)c1C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C
InChIInChI=1S/2C14H18N2.C14H20N2.C14H17NO.2C13H17N3.2C13H16N2.C12H18N4.C12H15N3/c1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-9-10(12(2,3)4)6-5-7-11(9)16(8-13)15-14;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h2*5-10H,1-4H3;6-10,15H,1H2,2-5H3;3*5-9H,1-4H3;2*4-10H,1-3H3;5-8,13-14H,1-4H3;4-9H,1-3H3/b;;15-10+;;;;;;13-8+,15-14+;
InChIKeyOFHMZDCXUDDULS-BPTCXNHISA-N
XLogP33.06
TPSA279.83 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds14
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002110.99
LogP ≤ 533.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
The IUPAC name of N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole (CID 159977169) is N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole.
What is the SMILES notation for N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
The canonical SMILES for N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole is CC(C)(C)c1cccc(-n2cccn2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(-n2cncn2)c1.Cc1c(-c2ncco2)cccc1C(C)(C)C.Cc1c(-n2cccn2)cccc1C(C)(C)C.Cc1c(-n2ccnc2)cccc1C(C)(C)C.Cc1c(-n2ccnn2)cccc1C(C)(C)C.Cc1c(-n2nccn2)cccc1C(C)(C)C.[H]/N=C/N(/N=N/[H])c1cccc(C(C)(C)C)c1C.[H]/N=C/N(C=C)c1cccc(C(C)(C)C)c1C.
What is the InChIKey of N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
The InChIKey is OFHMZDCXUDDULS-BPTCXNHISA-N. The full InChI is InChI=1S/2C14H18N2.C14H20N2.C14H17NO.2C13H17N3.2C13H16N2.C12H18N4.C12H15N3/c1-11-12(14(2,3)4)7-5-8-13(11)16-10-6-9-15-16;1-11-12(14(2,3)4)6-5-7-13(11)16-9-8-15-10-16;1-6-16(10-15)13-9-7-8-12(11(13)2)14(3,4)5;1-10-11(13-15-8-9-16-13)6-5-7-12(10)14(2,3)4;1-10-11(13(2,3)4)6-5-7-12(10)16-9-8-14-15-16;1-10-11(13(2,3)4)6-5-7-12(10)16-14-8-9-15-16;1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14-15;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-9-10(12(2,3)4)6-5-7-11(9)16(8-13)15-14;1-12(2,3)10-5-4-6-11(7-10)15-9-13-8-14-15/h2*5-10H,1-4H3;6-10,15H,1H2,2-5H3;3*5-9H,1-4H3;2*4-10H,1-3H3;5-8,13-14H,1-4H3;4-9H,1-3H3/b;;15-10+;;;;;;13-8+,15-14+;.
What are the key properties of N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole?
N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole has a molecular weight of 2110.99 g/mol, XLogP of 33.06, 14 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-methylphenyl)-N-diazenylmethanimidamide;N-(3-tert-butyl-2-methylphenyl)-N-ethenylmethanimidamide;1-(3-tert-butyl-2-methylphenyl)imidazole;2-(3-tert-butyl-2-methylphenyl)-1,3-oxazole;1-(3-tert-butyl-2-methylphenyl)pyrazole;1-(3-tert-butyl-2-methylphenyl)triazole;2-(3-tert-butyl-2-methylphenyl)triazole;1-(3-tert-butylphenyl)imidazole;1-(3-tert-butylphenyl)pyrazole;1-(3-tert-butylphenyl)-1,2,4-triazole is sourced from PubChem (CID 159977169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).