5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H17N5O — CID 94672053

IUPAC5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCCCC3)nc2n1
InChIInChI=1S/C12H17N5O/c1-2-9-8-10(18)17-11(13-9)14-12(15-17)16-6-4-3-5-7-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyOCEHCWHKRULTCT-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.97
Rot. Bonds2

About 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 94672053) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID94672053
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]c(N3CCCCC3)nc2n1
InChIInChI=1S/C12H17N5O/c1-2-9-8-10(18)17-11(13-9)14-12(15-17)16-6-4-3-5-7-16/h8H,2-7H2,1H3,(H,13,14,15)
InChIKeyOCEHCWHKRULTCT-UHFFFAOYSA-N
XLogP0.97
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7-Hydroxy-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(4-methylpiperidin-1-yl)methanone
CID 6501337
5-Methyl-2-piperidin-1-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 14547518
5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
5-ethyl-2-pyrrolidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 94672044
2-(dimethylamino)-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 130287498
5-Chloromethyl-2-piperidin-1-yl-4H-[1,2,4]-triazolo[1,5-a]pyrimidin-7-one
CID 29888444
5-[(4-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43556653
5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43607145
2-(piperidin-1-yl)-5-(sulfanylmethyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 50928566
5-[[piperidin-4-yl(propyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60805471
5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 60807302
5-[(3-aminopiperidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 61297790

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 94672053) is 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]c(N3CCCCC3)nc2n1.
What is the InChIKey of 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is OCEHCWHKRULTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-2-9-8-10(18)17-11(13-9)14-12(15-17)16-6-4-3-5-7-16/h8H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 247.30 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-piperidin-1-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 94672053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).