2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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)

C105H214N22S3 — CID 158812587

IUPAC2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1ccn[nH]1.CC(C)Cc1cn[nH]n1.CC(C)Cc1cncs1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)Cc1ncn[nH]1.CC(C)Cc1ncn[nH]1.CC(C)Cn1cccn1.CC(C)Cn1cncn1.[H]/N=C/C(CC(C)C)=NN
InChIInChI=1S/2C7H12N2.3C7H11NS.4C6H11N3.C6H13N3.10C4H10/c1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)3-7-4-9-5-8-7;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;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;10*1-4(2)3/h3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,7,8,9);4-5,7H,3,8H2,1-2H3;10*4H,1-3H3/b;;;;;;;;;7-4+,9-6?;;;;;;;;;;
InChIKeyFAYPQFDAZDRPGD-GEMXYAJMSA-N
MW1881.22 g/mol
LogP31.74
Rot. Bonds21

About 2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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 158812587) has the molecular formula C105H214N22S3 and a molecular weight of 1881.22 g/mol. Its IUPAC name is 2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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 Name2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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 CID158812587
Molecular FormulaC105H214N22S3
Molecular Weight1881.22 g/mol
Exact Mass1879.66
IUPAC Name2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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)
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)Cc1ccn[nH]1.CC(C)Cc1cn[nH]n1.CC(C)Cc1cncs1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)Cc1ncn[nH]1.CC(C)Cc1ncn[nH]1.CC(C)Cn1cccn1.CC(C)Cn1cncn1.[H]/N=C/C(CC(C)C)=NN
InChIInChI=1S/2C7H12N2.3C7H11NS.4C6H11N3.C6H13N3.10C4H10/c1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)3-7-4-9-5-8-7;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;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;10*1-4(2)3/h3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,7,8,9);4-5,7H,3,8H2,1-2H3;10*4H,1-3H3/b;;;;;;;;;7-4+,9-6?;;;;;;;;;;
InChIKeyFAYPQFDAZDRPGD-GEMXYAJMSA-N
XLogP31.74
TPSA302.82 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001881.22
LogP ≤ 531.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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'}

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Related Compounds

1,3-Dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 160586252
2-[2-[4-[2-(1H-imidazol-2-yl)ethyl]-5-(1H-imidazol-2-ylmethyl)-3-(1H-pyrazol-5-ylmethyl)pyrazol-1-yl]ethyl]-1,3-thiazole
CID 141056230
4-[5-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-1-(1H-pyrrol-2-yl)-3-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)triazolidin-2-yl]thiadiazole
CID 141328720
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157074534
5-tert-butyl-2-ethenyl-1-methylimidazole;5-tert-butyl-3-ethenyl-1H-pyrazole;bis(4-tert-butyl-5-ethenyl-2H-pyrrole);bis(5-tert-butyl-2-ethenyl-3H-pyrrole);4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
CID 157145620
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
5-(2,2-Dimethylpropyl)-2-methyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)imidazole;5-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrazole;2-methyl-4-(2-methylpropyl)-1,3-thiazole;3-(2-methylpropyl)-1-propan-2-ylpyrazole;4-(2-methylpropyl)-2-propan-2-yl-1,3-thiazole
CID 157522258
octakis(2-methylpropane);4-(2-methylpropyl)-2,3-dihydro-1H-triazole;2-(2-methylpropyl)-1,3-thiazole;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 157728123
2-methylpropane;5-propan-2-yl-1H-imidazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 157812436
2-methyl-1H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-1H-pyrazole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;3-methyl-1,2,4-thiadiazole;5-methyl-1,2,4-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 157936459
4-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylimidazole;4-tert-butyl-3-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1-methylpyrazole;3-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-1H-pyrazole;4-tert-butyl-5-[2-(2,2-dimethylpropylsulfanyl)ethyl]-2H-pyrrole;5-tert-butyl-2-[2-(2,2-dimethylpropylsulfanyl)ethyl]-3H-pyrrole;5-tert-butyl-3-(2,2-dimethylpropylsulfanyl)-1,2-thiazole
CID 158230200
5-tert-butyl-1,2-dimethylimidazole;4-tert-butyl-1,5-dimethylpyrazole;4-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-1,3,5-trimethylpyrazole;3,3-dimethylbut-1-ene;2,2,3-trimethylbutane
CID 158317854

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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 158812587) is 2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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)C.CC(C)C.CC(C)C.CC(C)Cc1ccn[nH]1.CC(C)Cc1cn[nH]n1.CC(C)Cc1cncs1.CC(C)Cc1cscn1.CC(C)Cc1nccs1.CC(C)Cc1ncn[nH]1.CC(C)Cc1ncn[nH]1.CC(C)Cn1cccn1.CC(C)Cn1cncn1.[H]/N=C/C(CC(C)C)=NN.
What is the InChIKey of 2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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 FAYPQFDAZDRPGD-GEMXYAJMSA-N. The full InChI is InChI=1S/2C7H12N2.3C7H11NS.4C6H11N3.C6H13N3.10C4H10/c1-6(2)5-7-3-4-8-9-7;1-7(2)6-9-5-3-4-8-9;1-6(2)3-7-4-9-5-8-7;1-6(2)3-7-4-8-5-9-7;1-6(2)5-7-8-3-4-9-7;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;10*1-4(2)3/h3-4,6H,5H2,1-2H3,(H,8,9);3-5,7H,6H2,1-2H3;2*4-6H,3H2,1-2H3;3-4,6H,5H2,1-2H3;4-6H,3H2,1-2H3;3*4-5H,3H2,1-2H3,(H,7,8,9);4-5,7H,3,8H2,1-2H3;10*4H,1-3H3/b;;;;;;;;;7-4+,9-6?;;;;;;;;;;.
What are the key properties of 2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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 1881.22 g/mol, XLogP of 31.74, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinylidene-4-methylpentan-1-imine;decakis(2-methylpropane);1-(2-methylpropyl)pyrazole;5-(2-methylpropyl)-1H-pyrazole;2-(2-methylpropyl)-1,3-thiazole;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 158812587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).