ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

C71H144N18O2 — CID 160857858

IUPACethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc[nH]1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1.CC(C)n1ncnn1
InChIInChI=1S/2C7H11N.2C6H10N2.2C6H9NO.2C5H9N3.C4H8N4.9C2H6.CH4/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;2*1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-6-3-5-7-8;9*1-2;/h3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;3-4H,1-2H3;9*1-2H3;1H4
InChIKeySKCDBPSKALFASD-UHFFFAOYSA-N
MW1282.06 g/mol
LogP22.58
Rot. Bonds9

About ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole

ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (PubChem CID 160857858) has the molecular formula C71H144N18O2 and a molecular weight of 1282.06 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.

Molecular Properties

Compound Nameethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
PubChem CID160857858
Molecular FormulaC71H144N18O2
Molecular Weight1282.06 g/mol
Exact Mass1281.17
IUPAC Nameethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole
SMILESC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc[nH]1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1.CC(C)n1ncnn1
InChIInChI=1S/2C7H11N.2C6H10N2.2C6H9NO.2C5H9N3.C4H8N4.9C2H6.CH4/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;2*1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-6-3-5-7-8;9*1-2;/h3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;3-4H,1-2H3;9*1-2H3;1H4
InChIKeySKCDBPSKALFASD-UHFFFAOYSA-N
XLogP22.58
TPSA213.44 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds9
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001282.06
LogP ≤ 522.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Analyze ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole with MolForge

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Launch Full Analysis

Related Compounds

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5-tert-butyl-2-ethenyl-1-methylimidazole;4-tert-butyl-2-ethenyl-1,3-oxazole;4-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1H-pyrazole;3-tert-butyl-5-ethenyl-2H-pyrrole;4-tert-butyl-5-ethenyl-2H-pyrrole;bis(5-tert-butyl-2-ethenyl-3H-pyrrole)
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Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The IUPAC name of ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole (CID 160857858) is ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole.
What is the SMILES notation for ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The canonical SMILES for ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1ccc[nH]1.CC(C)c1ccon1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1cncn1.CC(C)n1nccn1.CC(C)n1ncnn1.
What is the InChIKey of ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
The InChIKey is SKCDBPSKALFASD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11N.2C6H10N2.2C6H9NO.2C5H9N3.C4H8N4.9C2H6.CH4/c1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-8-7;2*1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-5(2)8-4-6-3-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-6-3-5-7-8;9*1-2;/h3-7H,1-2H3;3-6,8H,1-2H3;2*3-6H,1-2H3;4*3-5H,1-2H3;3-4H,1-2H3;9*1-2H3;1H4.
What are the key properties of ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole?
ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole has a molecular weight of 1282.06 g/mol, XLogP of 22.58, 9 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrole;2-propan-2-yl-1H-pyrrole;2-propan-2-yltetrazole;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole is sourced from PubChem (CID 160857858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).