2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol

C8H11N5O — CID 84772647

IUPAC2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
SMILESCNCC(O)c1cnc2ncnn2c1
InChIInChI=1S/C8H11N5O/c1-9-3-7(14)6-2-10-8-11-5-12-13(8)4-6/h2,4-5,7,9,14H,3H2,1H3
InChIKeyHNKLJUTZAOLVEG-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.62
Rot. Bonds3

About 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol

2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol (PubChem CID 84772647) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol.

Molecular Properties

Compound Name2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
PubChem CID84772647
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
SMILESCNCC(O)c1cnc2ncnn2c1
InChIInChI=1S/C8H11N5O/c1-9-3-7(14)6-2-10-8-11-5-12-13(8)4-6/h2,4-5,7,9,14H,3H2,1H3
InChIKeyHNKLJUTZAOLVEG-UHFFFAOYSA-N
XLogP-0.62
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
The IUPAC name of 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol (CID 84772647) is 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol.
What is the SMILES notation for 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
The canonical SMILES for 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol is CNCC(O)c1cnc2ncnn2c1.
What is the InChIKey of 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
The InChIKey is HNKLJUTZAOLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-9-3-7(14)6-2-10-8-11-5-12-13(8)4-6/h2,4-5,7,9,14H,3H2,1H3.
What are the key properties of 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol?
2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol has a molecular weight of 193.21 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol is sourced from PubChem (CID 84772647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).