5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H17N5O3 — CID 62015946

IUPAC5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCC(O)CN(C)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C11H17N5O3/c1-15(5-9(17)6-19-2)4-8-3-10(18)16-11(14-8)12-7-13-16/h3,7,9,17H,4-6H2,1-2H3,(H,12,13,14)
InChIKeyKKFCVDGIVKNTLQ-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.14
Rot. Bonds6

About 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62015946) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62015946
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCOCC(O)CN(C)Cc1cc(=O)n2[nH]cnc2n1
InChIInChI=1S/C11H17N5O3/c1-15(5-9(17)6-19-2)4-8-3-10(18)16-11(14-8)12-7-13-16/h3,7,9,17H,4-6H2,1-2H3,(H,12,13,14)
InChIKeyKKFCVDGIVKNTLQ-UHFFFAOYSA-N
XLogP-1.14
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62015946) is 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is COCC(O)CN(C)Cc1cc(=O)n2[nH]cnc2n1.
What is the InChIKey of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KKFCVDGIVKNTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-15(5-9(17)6-19-2)4-8-3-10(18)16-11(14-8)12-7-13-16/h3,7,9,17H,4-6H2,1-2H3,(H,12,13,14).
What are the key properties of 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 267.29 g/mol, XLogP of -1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-hydroxy-3-methoxypropyl)-methylamino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62015946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).