(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol

C15H17N5O2 — CID 95326962

IUPAC(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
SMILESCOCc1cc(N[C@@H](CO)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H17N5O2/c1-22-9-12-7-14(20-15(18-12)16-10-17-20)19-13(8-21)11-5-3-2-4-6-11/h2-7,10,13,19,21H,8-9H2,1H3/t13-/m0/s1
InChIKeyPYTFVVIYOFTBEL-ZDUSSCGKSA-N
MW299.33 g/mol
LogP1.42
Rot. Bonds6

About (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol

(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol (PubChem CID 95326962) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
PubChem CID95326962
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol
SMILESCOCc1cc(N[C@@H](CO)c2ccccc2)n2ncnc2n1
InChIInChI=1S/C15H17N5O2/c1-22-9-12-7-14(20-15(18-12)16-10-17-20)19-13(8-21)11-5-3-2-4-6-11/h2-7,10,13,19,21H,8-9H2,1H3/t13-/m0/s1
InChIKeyPYTFVVIYOFTBEL-ZDUSSCGKSA-N
XLogP1.42
TPSA84.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol?
The IUPAC name of (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol (CID 95326962) is (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol?
The canonical SMILES for (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol is COCc1cc(N[C@@H](CO)c2ccccc2)n2ncnc2n1.
What is the InChIKey of (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol?
The InChIKey is PYTFVVIYOFTBEL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-22-9-12-7-14(20-15(18-12)16-10-17-20)19-13(8-21)11-5-3-2-4-6-11/h2-7,10,13,19,21H,8-9H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol?
(2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol has a molecular weight of 299.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-2-phenylethanol is sourced from PubChem (CID 95326962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).