cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

C17H23N5O — CID 110214032

IUPACcyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C17H23N5O/c23-16(13-5-2-1-3-6-13)21-10-4-7-14(11-21)15-8-9-18-17-19-12-20-22(15)17/h8-9,12-14H,1-7,10-11H2
InChIKeyCQVXJONSDPSGPL-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.41
Rot. Bonds2

About cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone

cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (PubChem CID 110214032) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
PubChem CID110214032
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Namecyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCCC(c2ccnc3ncnn23)C1
InChIInChI=1S/C17H23N5O/c23-16(13-5-2-1-3-6-13)21-10-4-7-14(11-21)15-8-9-18-17-19-12-20-22(15)17/h8-9,12-14H,1-7,10-11H2
InChIKeyCQVXJONSDPSGPL-UHFFFAOYSA-N
XLogP2.41
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone (CID 110214032) is cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is O=C(C1CCCCC1)N1CCCC(c2ccnc3ncnn23)C1.
What is the InChIKey of cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
The InChIKey is CQVXJONSDPSGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c23-16(13-5-2-1-3-6-13)21-10-4-7-14(11-21)15-8-9-18-17-19-12-20-22(15)17/h8-9,12-14H,1-7,10-11H2.
What are the key properties of cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone?
cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110214032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).