2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol

C8H11N5O — CID 57130748

IUPAC2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol
SMILESNCC(O)c1cnn2c(N)ccnc12
InChIInChI=1S/C8H11N5O/c9-3-6(14)5-4-12-13-7(10)1-2-11-8(5)13/h1-2,4,6,14H,3,9-10H2
InChIKeyUMKYKFOHELLUNM-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.70
Rot. Bonds2

About 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol

2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol (PubChem CID 57130748) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol
PubChem CID57130748
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol
SMILESNCC(O)c1cnn2c(N)ccnc12
InChIInChI=1S/C8H11N5O/c9-3-6(14)5-4-12-13-7(10)1-2-11-8(5)13/h1-2,4,6,14H,3,9-10H2
InChIKeyUMKYKFOHELLUNM-UHFFFAOYSA-N
XLogP-0.70
TPSA102.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol?
The IUPAC name of 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol (CID 57130748) is 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol is NCC(O)c1cnn2c(N)ccnc12.
What is the InChIKey of 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol?
The InChIKey is UMKYKFOHELLUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-3-6(14)5-4-12-13-7(10)1-2-11-8(5)13/h1-2,4,6,14H,3,9-10H2.
What are the key properties of 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol?
2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol has a molecular weight of 193.21 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(7-aminopyrazolo[1,5-a]pyrimidin-3-yl)ethanol is sourced from PubChem (CID 57130748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).