cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine

C82H169N19O — CID 161275811

IUPACcyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1nnc2ccccc21.c1c[nH]cn1.c1ccnnc1.c1cnncn1.c1cnoc1
InChIInChI=1S/C9H11N3.C6H10N2.C6H12.2C5H9N3.C4H4N2.5C4H10.C3H3N3.C3H4N2.C3H3NO.9C2H6/c1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;5*1-4(2)3;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;9*1-2/h3-7H,1-2H3;3-6H,1-2H3;1-6H2;2*3-4H,1-2H3,(H,6,7,8);1-4H;5*4H,1-3H3;1-3H;1-3H,(H,4,5);1-3H;9*1-2H3
InChIKeyVEKSBVWPDLAAEZ-UHFFFAOYSA-N
MW1437.39 g/mol
LogP26.65
Rot. Bonds4

About cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine

cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine (PubChem CID 161275811) has the molecular formula C82H169N19O and a molecular weight of 1437.39 g/mol. Its IUPAC name is cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine.

Molecular Properties

Compound Namecyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine
PubChem CID161275811
Molecular FormulaC82H169N19O
Molecular Weight1437.39 g/mol
Exact Mass1436.38
IUPAC Namecyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine
SMILESC1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1nnc2ccccc21.c1c[nH]cn1.c1ccnnc1.c1cnncn1.c1cnoc1
InChIInChI=1S/C9H11N3.C6H10N2.C6H12.2C5H9N3.C4H4N2.5C4H10.C3H3N3.C3H4N2.C3H3NO.9C2H6/c1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;5*1-4(2)3;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;9*1-2/h3-7H,1-2H3;3-6H,1-2H3;1-6H2;2*3-4H,1-2H3,(H,6,7,8);1-4H;5*4H,1-3H3;1-3H;1-3H,(H,4,5);1-3H;9*1-2H3
InChIKeyVEKSBVWPDLAAEZ-UHFFFAOYSA-N
XLogP26.65
TPSA250.83 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001437.39
LogP ≤ 526.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine with MolForge

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Related Compounds

N-[2-methyl-6-[2-(1H-pyrazol-5-ylamino)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,2-oxazol-3-amine
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CID 157431179
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5-methyl-1H-imidazole;4-methyl-1,2-oxazole;4-methyl-1H-pyrazole;4-methyl-3H-pyrazole;3-methylpyridine;3-methyl-2H-pyrrole;4-methyl-1,2,4-triazole
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CID 158378466
benzene;ethane;1H-imidazole;nonakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2-thiazole;1,2,4-triazine
CID 159349342
benzene;ethane;1H-imidazole;octakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-imidazole;1-propan-2-ylpyrazole;5-propan-2-yl-1H-1,2,4-triazole;pyrazine;pyridazine;pyridine;pyrimidine;1,2,4-triazine
CID 159652003
CID 161536429
CID 161536429
1H-imidazole;1,2-oxazole;1H-pyrazole;pyridine;1H-1,2,4-triazole
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1,2-dimethylimidazole;1,4-dimethylimidazole;3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,5-dimethylpyrazole;ethane;2-methyl-1H-benzimidazole;5-methyl-1H-1,2,4-triazole
CID 162283867
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;1-tert-butyl-4,5,6,7-tetrahydroindazole;3-tert-butyl-4,5,6,7-tetrahydro-1H-isoindole;1-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine;1-tert-butyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;3-tert-butyl-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-c]pyridine;1-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;3-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 167577523
3,5-diethyl-4-propan-2-yl-1H-pyrazole;3,5-dimethyl-4-propan-2-ylpyridine;4,6-dimethyl-5-propan-2-ylpyrimidine;1,5-di(propan-2-yl)imidazole;4,5-di(propan-2-yl)-1H-imidazole;1,4-di(propan-2-yl)pyrazole;4,5-di(propan-2-yl)-1H-pyrazole;2,3-di(propan-2-yl)pyridine;3,4-di(propan-2-yl)pyridine;1,3-di(propan-2-yl)pyrrole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-3-propan-2-ylpyridine;3-methylbutan-2-ylbenzene;2-methyl-3-propan-2-ylpyrazine;3-methyl-4-propan-2-ylpyridazine;4-methyl-5-propan-2-ylpyridazine;5-methyl-4-propan-2-ylpyrimidine;2-methylpropylbenzene;4-(2-methylpropyl)-1,2-oxazole;3-propan-2-yl-2-pyrrolidin-1-ylpyridine
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Frequently Asked Questions

What is the IUPAC name of cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine?
The IUPAC name of cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine (CID 161275811) is cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine.
What is the SMILES notation for cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine?
The canonical SMILES for cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine is C1CCCCC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.CC(C)c1ncn[nH]1.CC(C)n1cccn1.CC(C)n1nnc2ccccc21.c1c[nH]cn1.c1ccnnc1.c1cnncn1.c1cnoc1.
What is the InChIKey of cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine?
The InChIKey is VEKSBVWPDLAAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.C6H10N2.C6H12.2C5H9N3.C4H4N2.5C4H10.C3H3N3.C3H4N2.C3H3NO.9C2H6/c1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)8-5-3-4-7-8;1-2-4-6-5-3-1;1-4(2)5-6-3-7-8-5;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;5*1-4(2)3;1-2-5-6-3-4-1;1-2-5-3-4-1;1-2-4-5-3-1;9*1-2/h3-7H,1-2H3;3-6H,1-2H3;1-6H2;2*3-4H,1-2H3,(H,6,7,8);1-4H;5*4H,1-3H3;1-3H;1-3H,(H,4,5);1-3H;9*1-2H3.
What are the key properties of cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine?
cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine has a molecular weight of 1437.39 g/mol, XLogP of 26.65, 4 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexane;ethane;1H-imidazole;pentakis(2-methylpropane);1,2-oxazole;1-propan-2-ylbenzotriazole;1-propan-2-ylpyrazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole;pyridazine;1,2,4-triazine is sourced from PubChem (CID 161275811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).