2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C8H11N5O2 — CID 64852966

IUPAC2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(N)[nH]n2c(=O)c1CCO
InChIInChI=1S/C8H11N5O2/c1-4-5(2-3-14)6(15)13-8(10-4)11-7(9)12-13/h14H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyQPCCWDMMUHMTFH-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.16
Rot. Bonds2

About 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 64852966) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID64852966
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC Name2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(N)[nH]n2c(=O)c1CCO
InChIInChI=1S/C8H11N5O2/c1-4-5(2-3-14)6(15)13-8(10-4)11-7(9)12-13/h14H,2-3H2,1H3,(H3,9,10,11,12)
InChIKeyQPCCWDMMUHMTFH-UHFFFAOYSA-N
XLogP-1.16
TPSA109.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 64852966) is 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(N)[nH]n2c(=O)c1CCO.
What is the InChIKey of 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QPCCWDMMUHMTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c1-4-5(2-3-14)6(15)13-8(10-4)11-7(9)12-13/h14H,2-3H2,1H3,(H3,9,10,11,12).
What are the key properties of 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 209.21 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 64852966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).