7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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Basic information

CAS: 6150-46-5
Standard SMILES: CCOc1ccc(C2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(CCCO)nn32)cc1OC
InChIKey: ZBQRSQVTJIZDOR-UHFFFAOYSA-N
Molecular formula: C26H31N5O4
Average molar mass: 477.6 g/mol
Monoisotopic mass: 477.23760449

Names & identifiers

Preferred name: 7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
IUPAC: 7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Names & synonyms

6150-46-57-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamideDTXSID00421958AKOS002384185AKOS0163844107-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamideAS-871/42126979Z12223129517-(4-Ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide7-(4-ethoxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

Database identifiers

CAS: 6150-46-5
PubChem CID: 5220792
DTXSID: DTXSID00421958

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 111 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 9
Heavy atoms: 35
Formal charge: 0
Complexity: 749

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