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

C13H20N6O — CID 60807302

IUPAC5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1
InChIInChI=1S/C13H20N6O/c1-2-18(11-3-5-14-6-4-11)8-10-7-12(20)19-13(17-10)15-9-16-19/h7,9,11,14H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyBUTZKGZPZPYYSV-UHFFFAOYSA-N
MW276.34 g/mol
LogP-0.01
Rot. Bonds4

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

5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 60807302) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID60807302
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1
InChIInChI=1S/C13H20N6O/c1-2-18(11-3-5-14-6-4-11)8-10-7-12(20)19-13(17-10)15-9-16-19/h7,9,11,14H,2-6,8H2,1H3,(H,15,16,17)
InChIKeyBUTZKGZPZPYYSV-UHFFFAOYSA-N
XLogP-0.01
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 60807302) is 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCN(Cc1cc(=O)n2[nH]cnc2n1)C1CCNCC1.
What is the InChIKey of 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BUTZKGZPZPYYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-2-18(11-3-5-14-6-4-11)8-10-7-12(20)19-13(17-10)15-9-16-19/h7,9,11,14H,2-6,8H2,1H3,(H,15,16,17).
What are the key properties of 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 276.34 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 60807302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).