4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine

C16H20N6 — CID 167807146

IUPAC4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine
SMILESCCC(C)n1cc(-c2cn([C@H](C)c3ccncc3)nn2)cn1
InChIInChI=1S/C16H20N6/c1-4-12(2)21-10-15(9-18-21)16-11-22(20-19-16)13(3)14-5-7-17-8-6-14/h5-13H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyJFZRTABZHVYCJT-ZGTCLIOFSA-N
MW296.38 g/mol
LogP3.12
Rot. Bonds5

About 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine

4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine (PubChem CID 167807146) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine
PubChem CID167807146
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine
SMILESCCC(C)n1cc(-c2cn([C@H](C)c3ccncc3)nn2)cn1
InChIInChI=1S/C16H20N6/c1-4-12(2)21-10-15(9-18-21)16-11-22(20-19-16)13(3)14-5-7-17-8-6-14/h5-13H,4H2,1-3H3/t12?,13-/m1/s1
InChIKeyJFZRTABZHVYCJT-ZGTCLIOFSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine?
The IUPAC name of 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine (CID 167807146) is 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine.
What is the SMILES notation for 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine?
The canonical SMILES for 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine is CCC(C)n1cc(-c2cn([C@H](C)c3ccncc3)nn2)cn1.
What is the InChIKey of 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine?
The InChIKey is JFZRTABZHVYCJT-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H20N6/c1-4-12(2)21-10-15(9-18-21)16-11-22(20-19-16)13(3)14-5-7-17-8-6-14/h5-13H,4H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine?
4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine has a molecular weight of 296.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]ethyl]pyridine is sourced from PubChem (CID 167807146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).