2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine

C18H24N6 — CID 95122667

IUPAC2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
SMILESCC(C)c1nc([C@H](C)n2ccnc2C(C)C)n(-c2ccccn2)n1
InChIInChI=1S/C18H24N6/c1-12(2)16-21-18(24(22-16)15-8-6-7-9-19-15)14(5)23-11-10-20-17(23)13(3)4/h6-14H,1-5H3/t14-/m0/s1
InChIKeyWUDZGYXCLNBVJU-AWEZNQCLSA-N
MW324.43 g/mol
LogP3.71
Rot. Bonds5

About 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine

2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine (PubChem CID 95122667) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
PubChem CID95122667
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine
SMILESCC(C)c1nc([C@H](C)n2ccnc2C(C)C)n(-c2ccccn2)n1
InChIInChI=1S/C18H24N6/c1-12(2)16-21-18(24(22-16)15-8-6-7-9-19-15)14(5)23-11-10-20-17(23)13(3)4/h6-14H,1-5H3/t14-/m0/s1
InChIKeyWUDZGYXCLNBVJU-AWEZNQCLSA-N
XLogP3.71
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine (CID 95122667) is 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine is CC(C)c1nc([C@H](C)n2ccnc2C(C)C)n(-c2ccccn2)n1.
What is the InChIKey of 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
The InChIKey is WUDZGYXCLNBVJU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6/c1-12(2)16-21-18(24(22-16)15-8-6-7-9-19-15)14(5)23-11-10-20-17(23)13(3)4/h6-14H,1-5H3/t14-/m0/s1.
What are the key properties of 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine?
2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine has a molecular weight of 324.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-propan-2-yl-5-[(1S)-1-(2-propan-2-ylimidazol-1-yl)ethyl]-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 95122667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).