N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide

C19H23N5O — CID 50748921

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide
SMILESCc1cc(C)n2nc(CN(C(=O)C(C)(C)C)c3ccccc3)nc2n1
InChIInChI=1S/C19H23N5O/c1-13-11-14(2)24-18(20-13)21-16(22-24)12-23(17(25)19(3,4)5)15-9-7-6-8-10-15/h6-11H,12H2,1-5H3
InChIKeyLUBBIUFMYUSPSX-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.32
Rot. Bonds3

About N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide (PubChem CID 50748921) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide
PubChem CID50748921
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide
SMILESCc1cc(C)n2nc(CN(C(=O)C(C)(C)C)c3ccccc3)nc2n1
InChIInChI=1S/C19H23N5O/c1-13-11-14(2)24-18(20-13)21-16(22-24)12-23(17(25)19(3,4)5)15-9-7-6-8-10-15/h6-11H,12H2,1-5H3
InChIKeyLUBBIUFMYUSPSX-UHFFFAOYSA-N
XLogP3.32
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-fluoro-N-(4-methylphenyl)benzamide
CID 50749183
N-butyl-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]benzamide
CID 50749194
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-methylphenyl)thiophene-2-carboxamide
CID 50748919
N-(3-chlorophenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-methylbenzamide
CID 50749053
N-(4-chlorophenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2-methoxybenzamide
CID 50749028
N-(3-chlorophenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-fluorobenzamide
CID 50749054
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)thiophene-2-carboxamide
CID 50749160
N-(4-chlorophenyl)-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]cyclohexanecarboxamide
CID 50749093
3-chloro-N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 50749216
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 20855075
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-fluorophenyl)-3,4,5-trimethoxybenzamide
CID 50749068

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide (CID 50748921) is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide is Cc1cc(C)n2nc(CN(C(=O)C(C)(C)C)c3ccccc3)nc2n1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is LUBBIUFMYUSPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-11-14(2)24-18(20-13)21-16(22-24)12-23(17(25)19(3,4)5)15-9-7-6-8-10-15/h6-11H,12H2,1-5H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 337.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 50748921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).