2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine

C16H20N6 — CID 50955232

IUPAC2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine
SMILESCCC(c1nc(C(C)C)nn1-c1ccccn1)n1cccn1
InChIInChI=1S/C16H20N6/c1-4-13(21-11-7-10-18-21)16-19-15(12(2)3)20-22(16)14-8-5-6-9-17-14/h5-13H,4H2,1-3H3
InChIKeyXDTNQBKTFPKOHE-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.98
Rot. Bonds5

About 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine

2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 50955232) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID50955232
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine
SMILESCCC(c1nc(C(C)C)nn1-c1ccccn1)n1cccn1
InChIInChI=1S/C16H20N6/c1-4-13(21-11-7-10-18-21)16-19-15(12(2)3)20-22(16)14-8-5-6-9-17-14/h5-13H,4H2,1-3H3
InChIKeyXDTNQBKTFPKOHE-UHFFFAOYSA-N
XLogP2.98
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine (CID 50955232) is 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine is CCC(c1nc(C(C)C)nn1-c1ccccn1)n1cccn1.
What is the InChIKey of 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is XDTNQBKTFPKOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-4-13(21-11-7-10-18-21)16-19-15(12(2)3)20-22(16)14-8-5-6-9-17-14/h5-13H,4H2,1-3H3.
What are the key properties of 2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine?
2-[3-propan-2-yl-5-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 296.38 g/mol, XLogP of 2.98, 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-(1-pyrazol-1-ylpropyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50955232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).