5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C12H18N6O2 — CID 62020399

IUPAC5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCN(CCO)CC2)nc2nc[nH]n12
InChIInChI=1S/C12H18N6O2/c19-6-5-16-1-3-17(4-2-16)8-10-7-11(20)18-12(15-10)13-9-14-18/h7,9,19H,1-6,8H2,(H,13,14,15)
InChIKeyDUDLOWYLZIRAGK-UHFFFAOYSA-N
MW278.32 g/mol
LogP-1.47
Rot. Bonds4

About 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62020399) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62020399
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN2CCN(CCO)CC2)nc2nc[nH]n12
InChIInChI=1S/C12H18N6O2/c19-6-5-16-1-3-17(4-2-16)8-10-7-11(20)18-12(15-10)13-9-14-18/h7,9,19H,1-6,8H2,(H,13,14,15)
InChIKeyDUDLOWYLZIRAGK-UHFFFAOYSA-N
XLogP-1.47
TPSA89.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485080
5-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 107485770
2-[(2-hydroxyethyl)(methyl)amino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 641864
5-methyl-2-morpholin-4-yl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 5324516
5-methyl-2-(4-methylpiperazin-1-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 14547519
5-(morpholin-4-ylmethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 59476764
5-[[2-hydroxypropyl(methyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 55060786
5-[[butyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62013855
5-[[cyclopentyl(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62013894
5-[[3-hydroxypropyl(propan-2-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62015793
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62015946
5-[[2-hydroxyethyl(pentan-3-yl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 62016080

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62020399) is 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN2CCN(CCO)CC2)nc2nc[nH]n12.
What is the InChIKey of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DUDLOWYLZIRAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c19-6-5-16-1-3-17(4-2-16)8-10-7-11(20)18-12(15-10)13-9-14-18/h7,9,19H,1-6,8H2,(H,13,14,15).
What are the key properties of 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 278.32 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62020399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).