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

C8H10BrN5O — CID 84809479

IUPAC1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C8H10BrN5O/c1-10-3-6(15)7-12-8-11-2-5(9)4-14(8)13-7/h2,4,6,10,15H,3H2,1H3
InChIKeyZVSUFXIQSIZWIU-UHFFFAOYSA-N
MW272.11 g/mol
LogP0.14
Rot. Bonds3

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

1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol (PubChem CID 84809479) has the molecular formula C8H10BrN5O and a molecular weight of 272.11 g/mol. Its IUPAC name is 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol
PubChem CID84809479
Molecular FormulaC8H10BrN5O
Molecular Weight272.11 g/mol
Exact Mass271.01
IUPAC Name1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol
SMILESCNCC(O)c1nc2ncc(Br)cn2n1
InChIInChI=1S/C8H10BrN5O/c1-10-3-6(15)7-12-8-11-2-5(9)4-14(8)13-7/h2,4,6,10,15H,3H2,1H3
InChIKeyZVSUFXIQSIZWIU-UHFFFAOYSA-N
XLogP0.14
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.11
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-[3-(methylamino)propyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
CID 119431692
(2S)-2-[(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]hexanoic acid
CID 120615656
2-(methylamino)-1-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
CID 84772647
2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbaldehyde
CID 82404041
(1S)-1-(5-bromo-3-pyridinyl)-2-(methylamino)ethanol
CID 96804187
(1S)-1-(4-bromophenyl)-2-(methylamino)ethanol
CID 39247728
2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol
CID 84782999
6-bromo-N-[(2-hydroxycyclopentyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 111471419
6-bromo-N-[(3S)-3-methyloxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 164638263
2-(6-bromoimidazo[1,2-a]pyrimidin-3-yl)-N-methylethanamine
CID 83844069
3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84787752
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)cyclopropane-1-carbonitrile
CID 84807277

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol?
The IUPAC name of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol (CID 84809479) is 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol is CNCC(O)c1nc2ncc(Br)cn2n1.
What is the InChIKey of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol?
The InChIKey is ZVSUFXIQSIZWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN5O/c1-10-3-6(15)7-12-8-11-2-5(9)4-14(8)13-7/h2,4,6,10,15H,3H2,1H3.
What are the key properties of 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol?
1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol has a molecular weight of 272.11 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 84809479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).