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

C10H15N5O3 — CID 62022859

IUPAC5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)CCO)nc2nc[nH]n12
InChIInChI=1S/C10H15N5O3/c16-3-1-14(2-4-17)6-8-5-9(18)15-10(13-8)11-7-12-15/h5,7,16-17H,1-4,6H2,(H,11,12,13)
InChIKeyIICXGLSITKJPQO-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.80
Rot. Bonds6

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

5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 62022859) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID62022859
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Name5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(CN(CCO)CCO)nc2nc[nH]n12
InChIInChI=1S/C10H15N5O3/c16-3-1-14(2-4-17)6-8-5-9(18)15-10(13-8)11-7-12-15/h5,7,16-17H,1-4,6H2,(H,11,12,13)
InChIKeyIICXGLSITKJPQO-UHFFFAOYSA-N
XLogP-1.80
TPSA106.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 62022859) is 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(CN(CCO)CCO)nc2nc[nH]n12.
What is the InChIKey of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IICXGLSITKJPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c16-3-1-14(2-4-17)6-8-5-9(18)15-10(13-8)11-7-12-15/h5,7,16-17H,1-4,6H2,(H,11,12,13).
What are the key properties of 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 253.26 g/mol, XLogP of -1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(2-hydroxyethyl)amino]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 62022859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).