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

C14H22N6O — CID 79705515

IUPAC5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(Cc1cc(=O)n2[nH]cnc2n1)CC1CCNCC1
InChIInChI=1S/C14H22N6O/c1-2-19(8-11-3-5-15-6-4-11)9-12-7-13(21)20-14(18-12)16-10-17-20/h7,10-11,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyYQDPMZTWWGKCJU-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.24
Rot. Bonds5

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

5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 79705515) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID79705515
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(Cc1cc(=O)n2[nH]cnc2n1)CC1CCNCC1
InChIInChI=1S/C14H22N6O/c1-2-19(8-11-3-5-15-6-4-11)9-12-7-13(21)20-14(18-12)16-10-17-20/h7,10-11,15H,2-6,8-9H2,1H3,(H,16,17,18)
InChIKeyYQDPMZTWWGKCJU-UHFFFAOYSA-N
XLogP0.24
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.24
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-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 79705515) is 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCN(Cc1cc(=O)n2[nH]cnc2n1)CC1CCNCC1.
What is the InChIKey of 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YQDPMZTWWGKCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-2-19(8-11-3-5-15-6-4-11)9-12-7-13(21)20-14(18-12)16-10-17-20/h7,10-11,15H,2-6,8-9H2,1H3,(H,16,17,18).
What are the key properties of 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 290.37 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(piperidin-4-ylmethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 79705515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).