1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole

C26H48N8 — CID 158260085

IUPAC1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole
SMILESCC(C)c1cnnn1C(C)C.CC(C)c1nccn1C(C)C.Cc1nnn(C(C)C)c1C(C)C
InChIInChI=1S/C9H17N3.C9H16N2.C8H15N3/c1-6(2)9-8(5)10-11-12(9)7(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-9-10-11(8)7(3)4/h6-7H,1-5H3;5-8H,1-4H3;5-7H,1-4H3
InChIKeyGHTRVYLPKSUVHZ-UHFFFAOYSA-N
MW472.73 g/mol
LogP6.86
Rot. Bonds6

About 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole

1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole (PubChem CID 158260085) has the molecular formula C26H48N8 and a molecular weight of 472.73 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole.

Molecular Properties

Compound Name1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole
PubChem CID158260085
Molecular FormulaC26H48N8
Molecular Weight472.73 g/mol
Exact Mass472.40
IUPAC Name1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole
SMILESCC(C)c1cnnn1C(C)C.CC(C)c1nccn1C(C)C.Cc1nnn(C(C)C)c1C(C)C
InChIInChI=1S/C9H17N3.C9H16N2.C8H15N3/c1-6(2)9-8(5)10-11-12(9)7(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-9-10-11(8)7(3)4/h6-7H,1-5H3;5-8H,1-4H3;5-7H,1-4H3
InChIKeyGHTRVYLPKSUVHZ-UHFFFAOYSA-N
XLogP6.86
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.73
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole?
The IUPAC name of 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole (CID 158260085) is 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole.
What is the SMILES notation for 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole?
The canonical SMILES for 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole is CC(C)c1cnnn1C(C)C.CC(C)c1nccn1C(C)C.Cc1nnn(C(C)C)c1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole?
The InChIKey is GHTRVYLPKSUVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.C9H16N2.C8H15N3/c1-6(2)9-8(5)10-11-12(9)7(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-9-10-11(8)7(3)4/h6-7H,1-5H3;5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole?
1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole has a molecular weight of 472.73 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)imidazole;1,5-di(propan-2-yl)triazole;4-methyl-1,5-di(propan-2-yl)triazole is sourced from PubChem (CID 158260085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).