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2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide

C18H21N5O2 — CID 50750298

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide
SMILESCc1cccc(-c2nc3nc(C)c(CC(=O)NCCO)c(C)n3n2)c1
InChIInChI=1S/C18H21N5O2/c1-11-5-4-6-14(9-11)17-21-18-20-12(2)15(13(3)23(18)22-17)10-16(25)19-7-8-24/h4-6,9,24H,7-8,10H2,1-3H3,(H,19,25)
InChIKeyYWSQMQZNUKRTLV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.37
Rot. Bonds5

About 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide

2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 50750298) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide
PubChem CID50750298
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide
SMILESCc1cccc(-c2nc3nc(C)c(CC(=O)NCCO)c(C)n3n2)c1
InChIInChI=1S/C18H21N5O2/c1-11-5-4-6-14(9-11)17-21-18-20-12(2)15(13(3)23(18)22-17)10-16(25)19-7-8-24/h4-6,9,24H,7-8,10H2,1-3H3,(H,19,25)
InChIKeyYWSQMQZNUKRTLV-UHFFFAOYSA-N
XLogP1.37
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide (CID 50750298) is 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide is Cc1cccc(-c2nc3nc(C)c(CC(=O)NCCO)c(C)n3n2)c1.
What is the InChIKey of 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is YWSQMQZNUKRTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-5-4-6-14(9-11)17-21-18-20-12(2)15(13(3)23(18)22-17)10-16(25)19-7-8-24/h4-6,9,24H,7-8,10H2,1-3H3,(H,19,25).
What are the key properties of 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide?
2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 50750298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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