2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)

C72H149N17S2 — CID 157217013

About 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)

2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole) (PubChem CID 157217013) has the molecular formula C72H149N17S2 and a molecular weight of 1317.24 g/mol. Its IUPAC name is 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole).

Molecular Properties

• Compound Name: 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)
• PubChem CID: 157217013
• Molecular Formula: C72H149N17S2
• Molecular Weight: 1317.24 g/mol
• Exact Mass: 1316.16
• IUPAC Name: 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)
• SMILES: CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1cn[nH]n1.CC(C)Cc1cncs1.CC(C)Cc1cscn1.CC(C)Cc1ncn[nH]1.CC(C)Cc1ncn[nH]1.CC(C)Cn1cncn1.[H]/N=C/C(CC(C)C)=NN
• InChI: InChI=1S/2C7H11NS.4C6H11N3.C6H13N3.7C4H10/c1-6(2)3-7-4-9-5-8-7;1-6(2)3-7-4-8-5-9-7;1-6(2)3-9-5-7-4-8-9;2*1-5(2)3-6-7-4-8-9-6;1-5(2)3-6-4-7-9-8-6;1-5(2)3-6(4-7)9-8;7*1-4(2)3/h3*4-6H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,7,8,9);4-5,7H,3,8H2,1-2H3;7*4H,1-3H3/b;;;;;;7-4+,9-6?
• InChIKey: IKIJVWNJRJHUCF-LKPIOPJXSA-N
• XLogP: 21.26
• TPSA: 243.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1317.24
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)?

The IUPAC name of 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole) (CID 157217013) is 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole).

What is the SMILES notation for 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)?

The canonical SMILES for 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole) is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1cn[nH]n1.CC(C)Cc1cncs1.CC(C)Cc1cscn1.CC(C)Cc1ncn[nH]1.CC(C)Cc1ncn[nH]1.CC(C)Cn1cncn1.[H]/N=C/C(CC(C)C)=NN.

What is the InChIKey of 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)?

The InChIKey is IKIJVWNJRJHUCF-LKPIOPJXSA-N. The full InChI is InChI=1S/2C7H11NS.4C6H11N3.C6H13N3.7C4H10/c1-6(2)3-7-4-9-5-8-7;1-6(2)3-7-4-8-5-9-7;1-6(2)3-9-5-7-4-8-9;2*1-5(2)3-6-7-4-8-9-6;1-5(2)3-6-4-7-9-8-6;1-5(2)3-6(4-7)9-8;7*1-4(2)3/h3*4-6H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,7,8,9);4-5,7H,3,8H2,1-2H3;7*4H,1-3H3/b;;;;;;7-4+,9-6?;;;;;;;.

What are the key properties of 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole)?

2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole) has a molecular weight of 1317.24 g/mol, XLogP of 21.26, 15 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydrazinylidene-4-methylpentan-1-imine;heptakis(2-methylpropane);4-(2-methylpropyl)-1,3-thiazole;5-(2-methylpropyl)-1,3-thiazole;1-(2-methylpropyl)-1,2,4-triazole;4-(2-methylpropyl)-2H-triazole;bis(5-(2-methylpropyl)-1H-1,2,4-triazole) is sourced from PubChem (CID 157217013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).