6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

C9H12N4O2 — CID 19100870

IUPAC6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCc1nc2n(C)ncn2c(=O)c1CCO
InChIInChI=1S/C9H12N4O2/c1-6-7(3-4-14)8(15)13-5-10-12(2)9(13)11-6/h5,14H,3-4H2,1-2H3
InChIKeyRYEQNHSNYDFGHQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.73
Rot. Bonds2

About 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one

6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (PubChem CID 19100870) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
PubChem CID19100870
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one
SMILESCc1nc2n(C)ncn2c(=O)c1CCO
InChIInChI=1S/C9H12N4O2/c1-6-7(3-4-14)8(15)13-5-10-12(2)9(13)11-6/h5,14H,3-4H2,1-2H3
InChIKeyRYEQNHSNYDFGHQ-UHFFFAOYSA-N
XLogP-0.73
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The IUPAC name of 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one (CID 19100870) is 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The canonical SMILES for 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is Cc1nc2n(C)ncn2c(=O)c1CCO.
What is the InChIKey of 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
The InChIKey is RYEQNHSNYDFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-6-7(3-4-14)8(15)13-5-10-12(2)9(13)11-6/h5,14H,3-4H2,1-2H3.
What are the key properties of 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one?
6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one has a molecular weight of 208.22 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-1,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-one is sourced from PubChem (CID 19100870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).