2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

C66H138N16S2 — CID 158402496

IUPAC2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)(C)C.CC(C)/C(=C/N)NN.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cncn1.CCC
InChIInChI=1S/C6H10N2.2C6H9NS.3C5H9N3.C5H13N3.C5H12.5C4H10.C3H8/c1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5(3-6)8-7;1-5(2,3)4;5*1-4(2)3;1-3-2/h3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4,8H,6-7H2,1-2H3;1-4H3;5*4H,1-3H3;3H2,1-2H3/b;;;;;;5-3-;;;;;;;
InChIKeyGYGUVOCCCPCENK-DJXFVPJASA-N
MW1220.08 g/mol
LogP20.47
Rot. Bonds8

About 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole

2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158402496) has the molecular formula C66H138N16S2 and a molecular weight of 1220.08 g/mol. Its IUPAC name is 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID158402496
Molecular FormulaC66H138N16S2
Molecular Weight1220.08 g/mol
Exact Mass1219.07
IUPAC Name2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)(C)C.CC(C)/C(=C/N)NN.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cncn1.CCC
InChIInChI=1S/C6H10N2.2C6H9NS.3C5H9N3.C5H13N3.C5H12.5C4H10.C3H8/c1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5(3-6)8-7;1-5(2,3)4;5*1-4(2)3;1-3-2/h3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4,8H,6-7H2,1-2H3;1-4H3;5*4H,1-3H3;3H2,1-2H3/b;;;;;;5-3-;;;;;;;
InChIKeyGYGUVOCCCPCENK-DJXFVPJASA-N
XLogP20.47
TPSA232.38 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001220.08
LogP ≤ 520.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Related Compounds

2-[11-(1H-imidazol-5-yl)-2,4,5,8,11-pentamethyl-8-(1,3-thiazol-4-yl)-5-(1,3-thiazol-5-yl)-2-(1H-1,2,4-triazol-5-yl)dodecan-4-yl]-1,3-thiazole
CID 155239287
2-[11-(1H-imidazol-5-yl)-2,3,5,8,11-pentamethyl-8-(1,3-thiazol-4-yl)-5-(1,3-thiazol-5-yl)-2-(1H-1,2,4-triazol-5-yl)dodecan-3-yl]-1,3-thiazole
CID 155239304
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
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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)
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ethane;2-propan-2-yl-1H-imidazole;bis(5-propan-2-yl-1H-imidazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 157770273
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
2,5-dimethyl-1H-imidazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3,5-dimethyl-1H-1,2,4-triazole;3,5-dimethyl-3H-1,2,4-triazole
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heptakis(2-methylpropane);4-propan-2-yl-2,3-dihydro-1H-triazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;bis(5-propan-2-yl-1H-1,2,4-triazole)
CID 159261719
2-methyl-1H-imidazole;4-methyl-2H-imidazole;5-methyl-1H-imidazole;1-methylpyrazole;5-methyl-2H-pyrrole;1-methyltetrazole;2-methyltetrazole;5-methyl-2H-tetrazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1-methyl-1,2,4-triazole;2-methyltriazole;5-methyl-1H-1,2,4-triazole
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bis(2,5-dimethyl-1H-imidazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1H-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole (CID 158402496) is 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is CC(C)(C)C.CC(C)/C(=C/N)NN.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.CC(C)c1cncs1.CC(C)c1cscn1.CC(C)c1ncc[nH]1.CC(C)c1ncn[nH]1.CC(C)n1cncn1.CCC.
What is the InChIKey of 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is GYGUVOCCCPCENK-DJXFVPJASA-N. The full InChI is InChI=1S/C6H10N2.2C6H9NS.3C5H9N3.C5H13N3.C5H12.5C4H10.C3H8/c1-5(2)6-7-3-4-8-6;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)8-4-6-3-7-8;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-4(2)5(3-6)8-7;1-5(2,3)4;5*1-4(2)3;1-3-2/h3-5H,1-2H3,(H,7,8);3*3-5H,1-2H3;2*3-4H,1-2H3,(H,6,7,8);3-4,8H,6-7H2,1-2H3;1-4H3;5*4H,1-3H3;3H2,1-2H3/b;;;;;;5-3-;;;;;;;.
What are the key properties of 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole?
2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 1220.08 g/mol, XLogP of 20.47, 8 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;(Z)-2-hydrazinyl-3-methylbut-1-en-1-amine;pentakis(2-methylpropane);propane;2-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;1-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158402496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).