5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H16N6O — CID 66182356

IUPAC5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CNC1
InChIInChI=1S/C11H16N6O/c1-2-16(9-4-12-5-9)6-8-3-10(18)17-11(15-8)13-7-14-17/h3,7,9,12H,2,4-6H2,1H3,(H,13,14,15)
InChIKeyCIBBJGWUHDNOHZ-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.79
Rot. Bonds4

About 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 66182356) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID66182356
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCN(Cc1cc(=O)n2[nH]cnc2n1)C1CNC1
InChIInChI=1S/C11H16N6O/c1-2-16(9-4-12-5-9)6-8-3-10(18)17-11(15-8)13-7-14-17/h3,7,9,12H,2,4-6H2,1H3,(H,13,14,15)
InChIKeyCIBBJGWUHDNOHZ-UHFFFAOYSA-N
XLogP-0.79
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]acetamide
CID 22160351
N-[(7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]ethanethioamide
CID 22900969
5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 58878213
3-(azetidin-1-yl)-1-propan-2-yl-3,6-dihydro-2H-pyrazolo[4,3-d]pyrimidin-7-one
CID 152749247
5-(1,4-diazepan-1-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43162425
5-[[methyl(piperidin-4-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 43607145
5-[(2-methylpiperazin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55104773
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
5-[(3-aminopyrrolidin-1-yl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62068919

Frequently Asked Questions

What is the IUPAC name of 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 66182356) is 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCN(Cc1cc(=O)n2[nH]cnc2n1)C1CNC1.
What is the InChIKey of 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CIBBJGWUHDNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-16(9-4-12-5-9)6-8-3-10(18)17-11(15-8)13-7-14-17/h3,7,9,12H,2,4-6H2,1H3,(H,13,14,15).
What are the key properties of 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 248.29 g/mol, XLogP of -0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[azetidin-3-yl(ethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 66182356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).