1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole

C17H28N6 — CID 170025291

IUPAC1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole
SMILESCC(C)c1ncnn1CC1CC1c1nc(C(C)C)n(C(C)C)n1
InChIInChI=1S/C17H28N6/c1-10(2)16-18-9-19-22(16)8-13-7-14(13)15-20-17(11(3)4)23(21-15)12(5)6/h9-14H,7-8H2,1-6H3
InChIKeyURSKTZPZHUQTKT-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.50
Rot. Bonds6

About 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole

1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole (PubChem CID 170025291) has the molecular formula C17H28N6 and a molecular weight of 316.45 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole
PubChem CID170025291
Molecular FormulaC17H28N6
Molecular Weight316.45 g/mol
Exact Mass316.24
IUPAC Name1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole
SMILESCC(C)c1ncnn1CC1CC1c1nc(C(C)C)n(C(C)C)n1
InChIInChI=1S/C17H28N6/c1-10(2)16-18-9-19-22(16)8-13-7-14(13)15-20-17(11(3)4)23(21-15)12(5)6/h9-14H,7-8H2,1-6H3
InChIKeyURSKTZPZHUQTKT-UHFFFAOYSA-N
XLogP3.50
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole?
The IUPAC name of 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole (CID 170025291) is 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole.
What is the SMILES notation for 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole?
The canonical SMILES for 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole is CC(C)c1ncnn1CC1CC1c1nc(C(C)C)n(C(C)C)n1.
What is the InChIKey of 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole?
The InChIKey is URSKTZPZHUQTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6/c1-10(2)16-18-9-19-22(16)8-13-7-14(13)15-20-17(11(3)4)23(21-15)12(5)6/h9-14H,7-8H2,1-6H3.
What are the key properties of 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole?
1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole has a molecular weight of 316.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-3-[2-[(5-propan-2-yl-1,2,4-triazol-1-yl)methyl]cyclopropyl]-1,2,4-triazole is sourced from PubChem (CID 170025291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).