1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole

C59H108N18 — CID 158536238

IUPAC1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
SMILESCC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1
InChIInChI=1S/C10H17N.2C9H16N2.3C8H15N3.C7H14N4/c1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-8-10-11(9-7)6(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyHNZAMKKQXQCYPP-UHFFFAOYSA-N
MW1069.64 g/mol
LogP15.69
Rot. Bonds14

About 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole

1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole (PubChem CID 158536238) has the molecular formula C59H108N18 and a molecular weight of 1069.64 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
PubChem CID158536238
Molecular FormulaC59H108N18
Molecular Weight1069.64 g/mol
Exact Mass1068.90
IUPAC Name1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
SMILESCC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1
InChIInChI=1S/C10H17N.2C9H16N2.3C8H15N3.C7H14N4/c1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-8-10-11(9-7)6(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
InChIKeyHNZAMKKQXQCYPP-UHFFFAOYSA-N
XLogP15.69
TPSA176.30 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001069.64
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?
The IUPAC name of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole (CID 158536238) is 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole.
What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?
The canonical SMILES for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole is CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.
What is the InChIKey of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?
The InChIKey is HNZAMKKQXQCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.2C9H16N2.3C8H15N3.C7H14N4/c1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-8-10-11(9-7)6(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?
1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole has a molecular weight of 1069.64 g/mol, XLogP of 15.69, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole is sourced from PubChem (CID 158536238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).