bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene

C157H273N19O — CID 157363975

IUPACbis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESC=C(CC(C)C)NC(C)C.C=C(NC(C)C)C(C)C.CC(C)/C=C/C(C)C.CC(C)/N=N/C(C)C.CC(C)C#CC(C)C.CC(C)C1=CC=C(C(C)C)C1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Nc1ccc(C(C)C)cc1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1
InChIInChI=1S/C12H19N.C12H18O.C12H18.2C11H17N.C11H18.2C10H19N3.2C10H16N2.C9H16N2.C9H19N.C8H17N.C8H16.C8H14.C6H14N2/c2*1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)5-10-7-13(12-11-10)6-9(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)6-9(5)10-8(3)4;1-6(2)8(5)9-7(3)4;2*1-7(2)5-6-8(3)4;1-5(2)7-8-6(3)4/h5-10,13H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;7-8,10H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3;5-8H,1-4H3;7-8H,1-4H3;5-6H,1-4H3/b;;;;;;;;;;;;;6-5+;;8-7+
InChIKeyBIYRRIJJGXNRNK-MIUGTKCZSA-N
MW2443.04 g/mol
LogP45.78
Rot. Bonds39

About bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene

bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene (PubChem CID 157363975) has the molecular formula C157H273N19O and a molecular weight of 2443.04 g/mol. Its IUPAC name is bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene.

Molecular Properties

Compound Namebis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene
PubChem CID157363975
Molecular FormulaC157H273N19O
Molecular Weight2443.04 g/mol
Exact Mass2441.19
IUPAC Namebis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene
SMILESC=C(CC(C)C)NC(C)C.C=C(NC(C)C)C(C)C.CC(C)/C=C/C(C)C.CC(C)/N=N/C(C)C.CC(C)C#CC(C)C.CC(C)C1=CC=C(C(C)C)C1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Nc1ccc(C(C)C)cc1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1
InChIInChI=1S/C12H19N.C12H18O.C12H18.2C11H17N.C11H18.2C10H19N3.2C10H16N2.C9H16N2.C9H19N.C8H17N.C8H16.C8H14.C6H14N2/c2*1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)5-10-7-13(12-11-10)6-9(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)6-9(5)10-8(3)4;1-6(2)8(5)9-7(3)4;2*1-7(2)5-6-8(3)4;1-5(2)7-8-6(3)4/h5-10,13H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;7-8,10H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3;5-8H,1-4H3;7-8H,1-4H3;5-6H,1-4H3/b;;;;;;;;;;;;;6-5+;;8-7+
InChIKeyBIYRRIJJGXNRNK-MIUGTKCZSA-N
XLogP45.78
TPSA226.62 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds39
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002443.04
LogP ≤ 545.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene with MolForge

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Related Compounds

(S)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)-4-(5-(4-(2-morpholinoethoxy)phenyl)pyrimidin-2-yl)morpholine
CID 73504500
(S)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)-4-(5-(4-(2-(4-methylpiperazin-1-yl)ethoxy)phenyl)pyrimidin-2-yl)morpholine
CID 73504501
1-Ethyl-3-[4-[6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-3-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]pyrrolidin-2-yl]-5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]urea
CID 123201217
2-(1-methylpyrazol-4-yl)-N-[[5-(4-propan-2-yloxyphenyl)pyrimidin-2-yl]methyl]-6-(trifluoromethyl)pyridin-4-amine
CID 156578525
CID 162056230
CID 162056230
2-N-[(4-phenylmethoxyphenyl)methyl]-9-propan-2-yl-6-N-[(4-pyridin-2-ylphenyl)methyl]-2-N-(1H-1,2,4-triazol-5-ylmethyl)purine-2,6-diamine
CID 168499489
7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
CID 91176056
2-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]-4-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-yl]morpholine
CID 118364784
4-[5-[4-[2-(4-Methylpiperazin-1-yl)ethoxy]phenyl]pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine
CID 118364813
1-[3-[4-(2,3-Dimethylimidazol-4-yl)-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]-4-[3-[4-[2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]-6-[methyl(oxan-4-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropyl]phenoxy]-3-(methylamino)propan-2-ol
CID 123187083
N-[1-(2-methoxyethyl)piperidin-4-yl]-3-[[4-[[1-methyl-2-[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]indol-3-yl]methyl]phenyl]methyl]-6-(1-methyl-5-phenoxypyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 124016506
6-(2-ethoxy-3-pyridinyl)-3-[4-[4-[[[6-(2-ethoxy-3-pyridinyl)-2-(methylamino)-3-(2-methylpropanimidoyl)-4-pyridinyl]-[(2-methyltriazol-4-yl)methyl]amino]methyl]phenoxy]-2-methylbutanimidoyl]-4-N-[(4-methoxyphenyl)methyl]-2-N-methylpyridine-2,4-diamine
CID 135172334

Frequently Asked Questions

What is the IUPAC name of bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene?
The IUPAC name of bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene (CID 157363975) is bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene.
What is the SMILES notation for bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene?
The canonical SMILES for bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene is C=C(CC(C)C)NC(C)C.C=C(NC(C)C)C(C)C.CC(C)/C=C/C(C)C.CC(C)/N=N/C(C)C.CC(C)C#CC(C)C.CC(C)C1=CC=C(C(C)C)C1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Cc1cn(CC(C)C)nn1.CC(C)Nc1ccc(C(C)C)cc1.CC(C)Oc1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccc(C(C)C)nc1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)nc1.CC(C)c1cnc(C(C)C)nc1.
What is the InChIKey of bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene?
The InChIKey is BIYRRIJJGXNRNK-MIUGTKCZSA-N. The full InChI is InChI=1S/C12H19N.C12H18O.C12H18.2C11H17N.C11H18.2C10H19N3.2C10H16N2.C9H16N2.C9H19N.C8H17N.C8H16.C8H14.C6H14N2/c2*1-9(2)11-5-7-12(8-6-11)13-10(3)4;1-9(2)11-5-7-12(8-6-11)10(3)4;2*1-8(2)10-5-6-11(9(3)4)12-7-10;1-8(2)10-5-6-11(7-10)9(3)4;2*1-8(2)5-10-7-13(12-11-10)6-9(3)4;2*1-7(2)9-5-11-10(8(3)4)12-6-9;1-7(2)9-5-6-11(10-9)8(3)4;1-7(2)6-9(5)10-8(3)4;1-6(2)8(5)9-7(3)4;2*1-7(2)5-6-8(3)4;1-5(2)7-8-6(3)4/h5-10,13H,1-4H3;5-10H,1-4H3;5-10H,1-4H3;2*5-9H,1-4H3;5-6,8-9H,7H2,1-4H3;2*7-9H,5-6H2,1-4H3;2*5-8H,1-4H3;5-8H,1-4H3;7-8,10H,5-6H2,1-4H3;6-7,9H,5H2,1-4H3;5-8H,1-4H3;7-8H,1-4H3;5-6H,1-4H3/b;;;;;;;;;;;;;6-5+;;8-7+.
What are the key properties of bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene?
bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene has a molecular weight of 2443.04 g/mol, XLogP of 45.78, 39 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-bis(2-methylpropyl)triazole);(E)-2,5-dimethylhex-3-ene;2,5-dimethylhex-3-yne;N,4-di(propan-2-yl)aniline;1,4-di(propan-2-yl)benzene;1,4-di(propan-2-yl)cyclopenta-1,3-diene;di(propan-2-yl)diazene;1,3-di(propan-2-yl)pyrazole;bis(2,5-di(propan-2-yl)pyridine);bis(2,5-di(propan-2-yl)pyrimidine);3-methyl-N-propan-2-ylbut-1-en-2-amine;4-methyl-N-propan-2-ylpent-1-en-2-amine;1-propan-2-yl-4-propan-2-yloxybenzene is sourced from PubChem (CID 157363975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).