1-(6-aminopurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;5-methyl-1H-pyrazole-3-carboxylic acid

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Basic information

CAS: 65551-85-1
Standard SMILES: CN(CCO)CC(O)Cn1cnc2ncnc(N)c21.Cc1cc(C(=O)O)n[nH]1
InChIKey: MNLORZKQOMXIQY-UHFFFAOYSA-N
Molecular formula: C16H24N8O4
Average molar mass: 392.41 g/mol
Monoisotopic mass: 392.19205128

Names & identifiers

Preferred name: 1-(6-aminopurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;5-methyl-1H-pyrazole-3-carboxylic acid
IUPAC: 1-(6-aminopurin-7-yl)-3-[2-hydroxyethyl(methyl)amino]propan-2-ol;5-methyl-1H-pyrazole-3-carboxylic acid

Names & synonyms

NSC37137365551-85-1DTXSID00321186NSC-3713735-Methyl-1H-pyrazole-3-carboxylic acid--1-(6-amino-7H-purin-7-yl)-3-[(2-hydroxyethyl)(methyl)amino]propan-2-ol (1/1)

Database identifiers

CAS: 65551-85-1
PubChem CID: 340571
DTXSID: DTXSID00321186

Properties

Computed structural properties

Topological polar surface area: 179 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 408

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Compound notes

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