[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C16H22N6O — CID 51286414

IUPAC[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(N2CCC(C(=O)N3CCCC3)CC2)n2ncnc2n1
InChIInChI=1S/C16H22N6O/c1-12-10-14(22-16(19-12)17-11-18-22)20-8-4-13(5-9-20)15(23)21-6-2-3-7-21/h10-11,13H,2-9H2,1H3
InChIKeyZQKWBSMJZSJTDI-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.27
Rot. Bonds2

About [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 51286414) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID51286414
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCc1cc(N2CCC(C(=O)N3CCCC3)CC2)n2ncnc2n1
InChIInChI=1S/C16H22N6O/c1-12-10-14(22-16(19-12)17-11-18-22)20-8-4-13(5-9-20)15(23)21-6-2-3-7-21/h10-11,13H,2-9H2,1H3
InChIKeyZQKWBSMJZSJTDI-UHFFFAOYSA-N
XLogP1.27
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 51286414) is [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)n2ncnc2n1.
What is the InChIKey of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZQKWBSMJZSJTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-10-14(22-16(19-12)17-11-18-22)20-8-4-13(5-9-20)15(23)21-6-2-3-7-21/h10-11,13H,2-9H2,1H3.
What are the key properties of [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 51286414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).