7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C23H24N6O3 — CID 135410518

IUPAC7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H24N6O3/c1-4-32-19-8-6-5-7-18(19)28-22(31)20-14(2)26-23-24-13-25-29(23)21(20)16-9-11-17(12-10-16)27-15(3)30/h5-13,21H,4H2,1-3H3,(H,27,30)(H,28,31)(H,24,25,26)
InChIKeyDZVPWKBAPAASLY-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.56
Rot. Bonds6

About 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135410518) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135410518
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H24N6O3/c1-4-32-19-8-6-5-7-18(19)28-22(31)20-14(2)26-23-24-13-25-29(23)21(20)16-9-11-17(12-10-16)27-15(3)30/h5-13,21H,4H2,1-3H3,(H,27,30)(H,28,31)(H,24,25,26)
InChIKeyDZVPWKBAPAASLY-UHFFFAOYSA-N
XLogP3.56
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(Benzylsulfanyl)-7-(4-ethylphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135416465
6-Acetyl-5-methyl-7-[3-(phenylmethoxy)phenyl]-4,7,8-trihydro-1,2,4-triazolo[1, 5-a]pyrimidine
CID 2792916
7-(2-ethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide
CID 2792970
N-(2-Methoxyphenyl)-5-methyl-7-(3-methylphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 2793479
2-(4-(dimethylamino)phenyl)-N-(2-methoxyphenyl)-5-methyl-7-(pyridin-4-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3235849
5-Methyl-N-phenyl-7-(2-propoxyphenyl)-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 4418243
7-(4-ethylphenyl)-2-(ethylsulfanyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135437016
2-{[(2,5-Dimethylphenyl)methyl]sulfanyl}-N-(2-methoxyphenyl)-5-methyl-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-A]pyrimidine-6-carboxamide
CID 135437033
N-(2-methoxyphenyl)-5-methyl-7-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 3245064
N-(2-methoxyphenyl)-5-methyl-7-(5-methylfuran-2-yl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 666272
N-benzyl-7-(3-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 666993
7-(5-Bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)-5-methyl-4H,7H-[1,2,3,4]tetrazolo[1,5-A]pyrimidine-6-carboxamide
CID 5066905

Frequently Asked Questions

What is the IUPAC name of 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135410518) is 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCOc1ccccc1NC(=O)C1=C(C)Nc2ncnn2C1c1ccc(NC(C)=O)cc1.
What is the InChIKey of 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is DZVPWKBAPAASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-4-32-19-8-6-5-7-18(19)28-22(31)20-14(2)26-23-24-13-25-29(23)21(20)16-9-11-17(12-10-16)27-15(3)30/h5-13,21H,4H2,1-3H3,(H,27,30)(H,28,31)(H,24,25,26).
What are the key properties of 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-acetamidophenyl)-N-(2-ethoxyphenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135410518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).