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

C18H21N5O2 — CID 50750298

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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Related Compounds

2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750096
2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-piperidin-1-ylethanone
CID 50750233
ethyl 4-[2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetyl]piperazine-1-carboxylate
CID 50750328
2-(5,7-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 50749946
2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 97047590
2-[5,7-dimethyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 50750359
N-butyl-2-[5,7-dimethyl-2-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetamide
CID 50749986
2-(5,7-dimethyl-2-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-(3-methylphenyl)acetamide
CID 50750027
2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)acetamide
CID 50750226
2-[5,7-dimethyl-2-(4-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetic acid
CID 53214262
3-[[[2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetyl]amino]methyl]-N-methylbenzamide
CID 55587612
2-[2-(4-tert-butylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,3-dimethylphenyl)acetamide
CID 50749964

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).