1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole

C11H17N5 — CID 56864006

IUPAC1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole
SMILESCC(C)c1nccn1C(C)Cn1cncn1
InChIInChI=1S/C11H17N5/c1-9(2)11-13-4-5-16(11)10(3)6-15-8-12-7-14-15/h4-5,7-10H,6H2,1-3H3
InChIKeyQUEBBLUBAROWRK-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.86
Rot. Bonds4

About 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole

1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole (PubChem CID 56864006) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole
PubChem CID56864006
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole
SMILESCC(C)c1nccn1C(C)Cn1cncn1
InChIInChI=1S/C11H17N5/c1-9(2)11-13-4-5-16(11)10(3)6-15-8-12-7-14-15/h4-5,7-10H,6H2,1-3H3
InChIKeyQUEBBLUBAROWRK-UHFFFAOYSA-N
XLogP1.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole?
The IUPAC name of 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole (CID 56864006) is 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole.
What is the SMILES notation for 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole?
The canonical SMILES for 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole is CC(C)c1nccn1C(C)Cn1cncn1.
What is the InChIKey of 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole?
The InChIKey is QUEBBLUBAROWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-9(2)11-13-4-5-16(11)10(3)6-15-8-12-7-14-15/h4-5,7-10H,6H2,1-3H3.
What are the key properties of 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole?
1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole has a molecular weight of 219.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propan-2-ylimidazol-1-yl)propyl]-1,2,4-triazole is sourced from PubChem (CID 56864006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).