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

C7H8ClN5O — CID 84782999

IUPAC2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol
SMILESNC(CO)c1nc2ncc(Cl)cn2n1
InChIInChI=1S/C7H8ClN5O/c8-4-1-10-7-11-6(5(9)3-14)12-13(7)2-4/h1-2,5,14H,3,9H2
InChIKeyYFTVUPOQAIZSAI-UHFFFAOYSA-N
MW213.63 g/mol
LogP-0.23
Rot. Bonds2

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

2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol (PubChem CID 84782999) has the molecular formula C7H8ClN5O and a molecular weight of 213.63 g/mol. Its IUPAC name is 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol
PubChem CID84782999
Molecular FormulaC7H8ClN5O
Molecular Weight213.63 g/mol
Exact Mass213.04
IUPAC Name2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol
SMILESNC(CO)c1nc2ncc(Cl)cn2n1
InChIInChI=1S/C7H8ClN5O/c8-4-1-10-7-11-6(5(9)3-14)12-13(7)2-4/h1-2,5,14H,3,9H2
InChIKeyYFTVUPOQAIZSAI-UHFFFAOYSA-N
XLogP-0.23
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.63
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol?
The IUPAC name of 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol (CID 84782999) is 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol.
What is the SMILES notation for 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol?
The canonical SMILES for 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol is NC(CO)c1nc2ncc(Cl)cn2n1.
What is the InChIKey of 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol?
The InChIKey is YFTVUPOQAIZSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN5O/c8-4-1-10-7-11-6(5(9)3-14)12-13(7)2-4/h1-2,5,14H,3,9H2.
What are the key properties of 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol?
2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol has a molecular weight of 213.63 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethanol is sourced from PubChem (CID 84782999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).