Basic information
- Standard SMILES
CC(C)OC(=O)c1cnc(N)c(N)c1- InChIKey
WKEHGYIFAAPFBP-UHFFFAOYSA-N- Molecular formula
- C9H13N3O2
- Average molar mass
- 195.22 g/mol
Names & identifiers
- Preferred name
- Isopropyl 5,6-diaminonicotinate
- IUPAC
- propan-2-yl 5,6-diaminopyridine-3-carboxylate
Names & synonyms
isopropyl 5,6-diaminonicotinate403668-98-4Propan-2-yl 5,6-diaminopyridine-3-carboxylate5,6-diamino-nicotinic acid isopropyl ester3-Pyridinecarboxylic acid, 5,6-diamino-, 1-methylethyl esterstarbld0018475Linaprazan Impurity 12SCHEMBL4169197WKEHGYIFAAPFBP-UHFFFAOYSA-NMFCD20696916AS-93691SY472624
Show more names
DB-220796H95582F5745053-Pyridinecarboxylicacid,5,6-diamino-,1-methylethylester(9CI)
Database identifiers
- PubChem CID
- 9855728
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Related reactions
1 records
Compound notes
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